CID 365522

Nsc633210

Structural Information

Molecular Formula
C14H11ClN4O2S
SMILES
CC1=C(N2C=CSC2=N1)C(=O)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN4O2S/c1-8-11(19-6-7-22-14(19)16-8)12(20)18-13(21)17-10-4-2-9(15)3-5-10/h2-7H,1H3,(H2,17,18,20,21)
InChIKey
FWIOGAPTLUEGGG-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)carbamoyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0291 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03638 174.8
[M+Na]+ 357.01832 185.7
[M-H]- 333.02182 181.9
[M+NH4]+ 352.06292 191.9
[M+K]+ 372.99226 180.3
[M+H-H2O]+ 317.02636 168.3
[M+HCOO]- 379.02730 190.8
[M+CH3COO]- 393.04295 186.8
[M+Na-2H]- 355.00377 175.6
[M]+ 334.02855 181.4
[M]- 334.02965 181.4
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.