CID 88916

Metsulfovax

Structural Information

Molecular Formula
C12H12N2OS
SMILES
CC1=C(SC(=N1)C)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H12N2OS/c1-8-11(16-9(2)13-8)12(15)14-10-6-4-3-5-7-10/h3-7H,1-2H3,(H,14,15)
InChIKey
UDSJPFPDKCMYBD-UHFFFAOYSA-N
Compound name
2,4-dimethyl-N-phenyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

9684
Patents

232.06703 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.07431 151.3
[M+Na]+ 255.05625 163.6
[M+NH4]+ 250.10085 160.0
[M+K]+ 271.03019 156.8
[M-H]- 231.05975 155.3
[M+Na-2H]- 253.04170 158.7
[M]+ 232.06648 154.6
[M]- 232.06758 154.6
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