CID 735838

2-phenylamino-4-methyl-5-acetylthiazole

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

8
References

11
Patents

232.06703 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.074306 150.3
[M+Na]+ 255.056248 159.3
[M-H]- 231.059754 156.7
[M+NH4]+ 250.100853 169.3
[M+K]+ 271.030188 155.3
[M+H-H2O]+ 215.064290 143.3
[M+HCOO]- 277.065231 170.2
[M+CH3COO]- 291.080881 191.4
[M+Na-2H]- 253.041696 151.8
[M]+ 232.06648142 152.6
[M]- 232.06757858 152.6
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