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

77
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 146.7
[M+Na]+ 241.04061 158.8
[M+NH4]+ 236.08521 155.4
[M+K]+ 257.01455 152.6
[M-H]- 217.04411 150.6
[M+Na-2H]- 239.02606 153.9
[M]+ 218.05084 149.9
[M]- 218.05194 149.9
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