CID 3054235

2-succinylamino-4-p-chlorophenylthiazole-5-acetic acid

Structural Information

Molecular Formula
C15H13ClN2O5S
SMILES
C1=CC(=CC=C1C2=C(SC(=N2)NC(=O)CCC(=O)O)CC(=O)O)Cl
InChI
InChI=1S/C15H13ClN2O5S/c16-9-3-1-8(2-4-9)14-10(7-13(22)23)24-15(18-14)17-11(19)5-6-12(20)21/h1-4H,5-7H2,(H,20,21)(H,22,23)(H,17,18,19)
InChIKey
OSLPIWVJIQDAKZ-UHFFFAOYSA-N
Compound name
4-[[5-(carboxymethyl)-4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.02338 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.03066 181.4
[M+Na]+ 391.01260 190.2
[M+NH4]+ 386.05720 185.8
[M+K]+ 406.98654 186.5
[M-H]- 367.01610 181.2
[M+Na-2H]- 388.99805 184.2
[M]+ 368.02283 182.8
[M]- 368.02393 182.8
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.