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]+ 219.058666 146.3
[M+Na]+ 241.040608 155.7
[M-H]- 217.044114 152.3
[M+NH4]+ 236.085213 165.5
[M+K]+ 257.014548 151.6
[M+H-H2O]+ 201.048650 139.5
[M+HCOO]- 263.049591 165.9
[M+CH3COO]- 277.065241 187.8
[M+Na-2H]- 239.026056 147.2
[M]+ 218.05084142 147.2
[M]- 218.05193858 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.