CID 2385936

726165-19-1

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CC1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)O
InChI
InChI=1S/C12H12N2O2S/c1-7-2-4-8(5-3-7)11-9(6-10(15)16)17-12(13)14-11/h2-5H,6H2,1H3,(H2,13,14)(H,15,16)
InChIKey
JLJKSGJPQNPRKV-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.06195 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 154.1
[M+Na]+ 271.05117 163.2
[M-H]- 247.05467 158.8
[M+NH4]+ 266.09577 171.5
[M+K]+ 287.02511 158.5
[M+H-H2O]+ 231.05921 147.4
[M+HCOO]- 293.06015 172.0
[M+CH3COO]- 307.07580 191.6
[M+Na-2H]- 269.03662 153.6
[M]+ 248.06140 155.3
[M]- 248.06250 155.3
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

No patent data available for this compound.