CID 735558

21452-14-2

Structural Information

Molecular Formula
C11H11N3OS
SMILES
CC1=C(SC(=N1)N)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C11H11N3OS/c1-7-9(16-11(12)13-7)10(15)14-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)(H,14,15)
InChIKey
CACOMUHPQMDEJQ-UHFFFAOYSA-N
Compound name
2-amino-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5094
Patents

233.06229 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.06957 149.8
[M+Na]+ 256.05151 158.3
[M-H]- 232.05501 155.7
[M+NH4]+ 251.09611 168.1
[M+K]+ 272.02545 154.1
[M+H-H2O]+ 216.05955 142.5
[M+HCOO]- 278.06049 170.4
[M+CH3COO]- 292.07614 192.1
[M+Na-2H]- 254.03696 151.5
[M]+ 233.06174 149.9
[M]- 233.06284 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe