PubChemLite - Schembl10321745 (C19H19Cl2N5O2S)

Structural Information

Molecular Formula

SMILES

CC(C)CN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H19Cl2N5O2S/c1-12(2)9-26-16(14-4-3-13(20)7-15(14)21)11-29-19(26)25-24-17(27)10-28-18-8-22-5-6-23-18/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)/b25-19-

InChIKey

SQHAOMTXRPESIP-PLRJNAJWSA-N

Compound name

N-[(Z)-[4-(2,4-dichlorophenyl)-3-(2-methylpropyl)-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]+	452.07094	201.7
[M+Na]+	474.05288	210.5
[M-H]-	450.05638	209.1
[M+NH4]+	469.09748	210.5
[M+K]+	490.02682	203.4
[M+H-H2O]+	434.06092	192.0
[M+HCOO]-	496.06186	210.1
[M+CH3COO]-	510.07751	231.4
[M+Na-2H]-	472.03833	200.1
[M]+	451.06311	209.8
[M]-	451.06421	209.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

452.07094

201.7

[M+Na]+

474.05288

210.5

[M-H]-

450.05638

209.1

[M+NH4]+

469.09748

210.5

[M+K]+

490.02682

203.4

[M+H-H2O]+

434.06092

192.0

[M+HCOO]-

496.06186

210.1

[M+CH3COO]-

510.07751

231.4

[M+Na-2H]-

472.03833

200.1

[M]+

451.06311

209.8

[M]-

451.06421

209.8

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

Schembl10321745

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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