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 146.3
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.