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 179.7
[M+Na]+ 391.01260 186.5
[M-H]- 367.01610 183.2
[M+NH4]+ 386.05720 191.9
[M+K]+ 406.98654 181.3
[M+H-H2O]+ 351.02064 173.5
[M+HCOO]- 413.02158 190.1
[M+CH3COO]- 427.03723 208.7
[M+Na-2H]- 388.99805 176.8
[M]+ 368.02283 184.7
[M]- 368.02393 184.7
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.