CID 2325226

2126163-57-1

Structural Information

Molecular Formula
C11H10N2OS
SMILES
CC(=O)C1=C(N=C(S1)N)C2=CC=CC=C2
InChI
InChI=1S/C11H10N2OS/c1-7(14)10-9(13-11(12)15-10)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13)
InChIKey
PXKPGKJPVSSNDP-UHFFFAOYSA-N
Compound name
1-(2-amino-4-phenyl-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
Patents

218.05139 Da
Monoisotopic Mass

2.3
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

patents stripe