CID 1548770

2-(2-amino-1,3-thiazol-4-yl)-1-phenylethan-1-one

Structural Information

Molecular Formula
C11H10N2OS
SMILES
C1=CC=C(C=C1)C(=O)CC2=CSC(=N2)N
InChI
InChI=1S/C11H10N2OS/c12-11-13-9(7-15-11)6-10(14)8-4-2-1-3-5-8/h1-5,7H,6H2,(H2,12,13)
InChIKey
CSNWEDRWWVJFHC-UHFFFAOYSA-N
Compound name
2-(2-amino-1,3-thiazol-4-yl)-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.05139 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.05867 146.3
[M+Na]+ 241.04061 154.8
[M-H]- 217.04411 151.9
[M+NH4]+ 236.08521 165.2
[M+K]+ 257.01455 150.8
[M+H-H2O]+ 201.04865 139.2
[M+HCOO]- 263.04959 166.0
[M+CH3COO]- 277.06524 186.6
[M+Na-2H]- 239.02606 147.9
[M]+ 218.05084 146.9
[M]- 218.05194 146.9
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

No patent data available for this compound.