CID 7130840

4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid

Structural Information

Molecular Formula
C13H14N2O2S
SMILES
C1=CC=C(C=C1)C2=CSC(=N2)NCCCC(=O)O
InChI
InChI=1S/C13H14N2O2S/c16-12(17)7-4-8-14-13-15-11(9-18-13)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2,(H,14,15)(H,16,17)
InChIKey
IMNKPPYHTUWMSR-UHFFFAOYSA-N
Compound name
4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

262.0776 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.08488 158.6
[M+Na]+ 285.06682 169.2
[M+NH4]+ 280.11142 166.2
[M+K]+ 301.04076 162.9
[M-H]- 261.07032 161.4
[M+Na-2H]- 283.05227 164.9
[M]+ 262.07705 161.1
[M]- 262.07815 161.1
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

No patent data available for this compound.