CID 291865

2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetic acid

Structural Information

Molecular Formula
C11H10N2O2S
SMILES
C1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)O
InChI
InChI=1S/C11H10N2O2S/c12-11-13-10(7-4-2-1-3-5-7)8(16-11)6-9(14)15/h1-5H,6H2,(H2,12,13)(H,14,15)
InChIKey
DKCCMQRKDKYYCA-UHFFFAOYSA-N
Compound name
2-(2-amino-4-phenyl-1,3-thiazol-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

7
Patents

234.0463 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.05358 149.6
[M+Na]+ 257.03552 158.3
[M-H]- 233.03902 154.2
[M+NH4]+ 252.08012 167.3
[M+K]+ 273.00946 153.9
[M+H-H2O]+ 217.04356 142.9
[M+HCOO]- 279.04450 167.9
[M+CH3COO]- 293.06015 187.4
[M+Na-2H]- 255.02097 150.3
[M]+ 234.04575 150.1
[M]- 234.04685 150.1
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

patents stripe