CID 32181

Brn 1146753

Structural Information

Molecular Formula
C18H15N3O2S
SMILES
CC1=NSC(=C1C(=O)NC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H15N3O2S/c1-12-15(17(23)19-14-10-6-3-7-11-14)18(24-21-12)20-16(22)13-8-4-2-5-9-13/h2-11H,1H3,(H,19,23)(H,20,22)
InChIKey
HQSTWPFARPRMBE-UHFFFAOYSA-N
Compound name
5-benzamido-3-methyl-N-phenyl-1,2-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.0885 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.09578 177.8
[M+Na]+ 360.07772 184.4
[M-H]- 336.08122 186.8
[M+NH4]+ 355.12232 191.4
[M+K]+ 376.05166 179.1
[M+H-H2O]+ 320.08576 168.9
[M+HCOO]- 382.08670 197.6
[M+CH3COO]- 396.10235 188.4
[M+Na-2H]- 358.06317 178.8
[M]+ 337.08795 178.9
[M]- 337.08905 178.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.