PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-chloro-2-nitrophenyl)-4-phenyl-2(3h)-thiazolylidene]hydrazide (C21H15ClN6O4S)

Structural Information

Molecular Formula

SMILES

C1=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/C21H15ClN6O4S/c22-15-6-7-16(17(10-15)28(30)31)27-18(14-4-2-1-3-5-14)13-33-21(27)26-25-19(29)12-32-20-11-23-8-9-24-20/h1-11,13H,12H2,(H,25,29)/b26-21-

InChIKey

YLYJCUIWPYJHFW-QLYXXIJNSA-N

Compound name

N-[(Z)-[3-(4-chloro-2-nitrophenyl)-4-phenyl-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]+	483.06368	207.1
[M+Na]+	505.04562	212.6
[M-H]-	481.04912	217.7
[M+NH4]+	500.09022	211.7
[M+K]+	521.01956	201.8
[M+H-H2O]+	465.05366	199.6
[M+HCOO]-	527.05460	222.6
[M+CH3COO]-	541.07025	230.1
[M+Na-2H]-	503.03107	211.9
[M]+	482.05585	210.1
[M]-	482.05695	210.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.06368

207.1

[M+Na]+

505.04562

212.6

[M-H]-

481.04912

217.7

[M+NH4]+

500.09022

211.7

[M+K]+

521.01956

201.8

[M+H-H2O]+

465.05366

199.6

[M+HCOO]-

527.05460

222.6

[M+CH3COO]-

541.07025

230.1

[M+Na-2H]-

503.03107

211.9

[M]+

482.05585

210.1

[M]-

482.05695

210.1

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-phenyl-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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