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]+ 219.058666 146.3
[M+Na]+ 241.040608 154.8
[M-H]- 217.044114 151.9
[M+NH4]+ 236.085213 165.2
[M+K]+ 257.014548 150.8
[M+H-H2O]+ 201.048650 139.2
[M+HCOO]- 263.049591 166.0
[M+CH3COO]- 277.065241 186.6
[M+Na-2H]- 239.026056 147.9
[M]+ 218.05084142 146.9
[M]- 218.05193858 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.