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]+ 344.14272 180.0
[M+Na]+ 366.12466 183.4
[M-H]- 342.12816 187.7
[M+NH4]+ 361.16926 193.0
[M+K]+ 382.09860 178.8
[M+H-H2O]+ 326.13270 171.2
[M+HCOO]- 388.13364 195.5
[M+CH3COO]- 402.14929 212.2
[M+Na-2H]- 364.11011 178.3
[M]+ 343.13489 177.0
[M]- 343.13599 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.