CID 737887

4-methyl-2-phenyl-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C11H10N2OS
SMILES
CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)N
InChI
InChI=1S/C11H10N2OS/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,14)
InChIKey
HGWKKGLUWKNUOF-UHFFFAOYSA-N
Compound name
4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

10
Patents

218.05139 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 146.3
[M+Na]+ 241.04061 155.7
[M-H]- 217.04411 152.3
[M+NH4]+ 236.08521 165.5
[M+K]+ 257.01455 151.6
[M+H-H2O]+ 201.04865 139.5
[M+HCOO]- 263.04959 165.9
[M+CH3COO]- 277.06524 187.8
[M+Na-2H]- 239.02606 147.2
[M]+ 218.05084 147.2
[M]- 218.05194 147.2
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