CID 32182

Brn 1164204

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CC1=NSC(=C1C(=O)NC2CCCCC2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H21N3O2S/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/h2,4-5,8-9,14H,3,6-7,10-11H2,1H3,(H,19,23)(H,20,22)
InChIKey
OUKATDNAFVQKSW-UHFFFAOYSA-N
Compound name
5-benzamido-N-cyclohexyl-3-methyl-1,2-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13544 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.142716 180.0
[M+Na]+ 366.124658 183.4
[M-H]- 342.128164 187.7
[M+NH4]+ 361.169263 193.0
[M+K]+ 382.098598 178.8
[M+H-H2O]+ 326.132700 171.2
[M+HCOO]- 388.133641 195.5
[M+CH3COO]- 402.149291 212.2
[M+Na-2H]- 364.110106 178.3
[M]+ 343.13489142 177.0
[M]- 343.13598858 177.0
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.