CID 6435310

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

Structural Information

Molecular Formula
C15H11ClN2O5S
SMILES
C1=CC(=CC=C1C2=C(SC(=N2)NC(=O)/C=C\C(=O)O)CC(=O)O)Cl
InChI
InChI=1S/C15H11ClN2O5S/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/h1-6H,7H2,(H,20,21)(H,22,23)(H,17,18,19)/b6-5-
InChIKey
ANYKLRMNWWAYAP-WAYWQWQTSA-N
Compound name
(Z)-4-[[5-(carboxymethyl)-4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.00772 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.01500 179.6
[M+Na]+ 388.99694 186.8
[M-H]- 365.00044 183.2
[M+NH4]+ 384.04154 191.9
[M+K]+ 404.97088 180.9
[M+H-H2O]+ 349.00498 173.5
[M+HCOO]- 411.00592 190.2
[M+CH3COO]- 425.02157 207.3
[M+Na-2H]- 386.98239 176.6
[M]+ 366.00717 183.9
[M]- 366.00827 183.9
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.