CID 7064023

871478-85-2

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
CC1=C(C=C(C=C1)C2=C(SC(=N2)N)CC(=O)O)C
InChI
InChI=1S/C13H14N2O2S/c1-7-3-4-9(5-8(7)2)12-10(6-11(16)17)18-13(14)15-12/h3-5H,6H2,1-2H3,(H2,14,15)(H,16,17)
InChIKey
KPWQEBRONVVIER-UHFFFAOYSA-N
Compound name
2-[2-amino-4-(3,4-dimethylphenyl)-1,3-thiazol-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 159.7
[M+Na]+ 285.06682 171.1
[M+NH4]+ 280.11142 167.1
[M+K]+ 301.04076 165.6
[M-H]- 261.07032 162.6
[M+Na-2H]- 283.05227 164.8
[M]+ 262.07705 162.4
[M]- 262.07815 162.4
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.