PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chloro-2-nitrophenyl)-4-(4-methylphenyl)-2(3h)-thiazolylidene]hydrazide (C22H17ClN6O4S)

Structural Information

Molecular Formula

SMILES

CC1=CC=C(C=C1)C2=CS/C(=N\NC(=O)COC3=NC=CN=C3)/N2C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN6O4S/c1-14-2-4-15(5-3-14)19-13-34-22(27-26-20(30)12-33-21-11-24-8-9-25-21)28(19)17-7-6-16(23)10-18(17)29(31)32/h2-11,13H,12H2,1H3,(H,26,30)/b27-22-

InChIKey

ABWBSKVVULMUJR-QYQHSDTDSA-N

Compound name

N-[(Z)-[3-(4-chloro-2-nitrophenyl)-4-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	497.07933	212.7
[M+Na]+	519.06127	218.5
[M-H]-	495.06477	223.5
[M+NH4]+	514.10587	217.0
[M+K]+	535.03521	207.6
[M+H-H2O]+	479.06931	205.2
[M+HCOO]-	541.07025	227.8
[M+CH3COO]-	555.08590	234.1
[M+Na-2H]-	517.04672	216.3
[M]+	496.07150	216.4
[M]-	496.07260	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

497.07933

212.7

[M+Na]+

519.06127

218.5

[M-H]-

495.06477

223.5

[M+NH4]+

514.10587

217.0

[M+K]+

535.03521

207.6

[M+H-H2O]+

479.06931

205.2

[M+HCOO]-

541.07025

227.8

[M+CH3COO]-

555.08590

234.1

[M+Na-2H]-

517.04672

216.3

[M]+

496.07150

216.4

[M]-

496.07260

216.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chloro-2-nitrophenyl)-4-(4-methylphenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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