PubChemLite - Acetic acid, (pyrazinyloxy)-, [(2z)-3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide (C23H20FN5O3S)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N\2C(=CS/C2=N\NC(=O)COC3=NC=CN=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN5O3S/c1-2-31-19-9-7-18(8-10-19)29-20(16-3-5-17(24)6-4-16)15-33-23(29)28-27-21(30)14-32-22-13-25-11-12-26-22/h3-13,15H,2,14H2,1H3,(H,27,30)/b28-23-

InChIKey

SWYGUMRSYBPNRS-NFFVHWSESA-N

Compound name

N-[(Z)-[3-(4-ethoxyphenyl)-4-(4-fluorophenyl)-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]+	466.13436	207.1
[M+Na]+	488.11630	214.8
[M-H]-	464.11980	216.6
[M+NH4]+	483.16090	213.1
[M+K]+	504.09024	207.9
[M+H-H2O]+	448.12434	194.1
[M+HCOO]-	510.12528	225.3
[M+CH3COO]-	524.14093	215.5
[M+Na-2H]-	486.10175	208.0
[M]+	465.12653	211.5
[M]-	465.12763	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

466.13436

207.1

[M+Na]+

488.11630

214.8

[M-H]-

464.11980

216.6

[M+NH4]+

483.16090

213.1

[M+K]+

504.09024

207.9

[M+H-H2O]+

448.12434

194.1

[M+HCOO]-

510.12528

225.3

[M+CH3COO]-

524.14093

215.5

[M+Na-2H]-

486.10175

208.0

[M]+

465.12653

211.5

[M]-

465.12763

211.5

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-ethoxyphenyl)-4-(4-fluorophenyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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