CID 12219245

5-benzoyl-4-methyl-1,3-thiazol-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.05139 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 146.7
[M+Na]+ 241.04061 158.8
[M+NH4]+ 236.08521 155.4
[M+K]+ 257.01455 152.6
[M-H]- 217.04411 150.6
[M+Na-2H]- 239.02606 153.9
[M]+ 218.05084 149.9
[M]- 218.05194 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.