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

83
Patents

218.05139 Da
Monoisotopic Mass

2.3
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

patents stripe