CID 6435310

Maleamic acid, n-(5-carboxymethyl-4-(p-chlorophenyl)-2-thiazolyl)-

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]+ 367.014996 179.6
[M+Na]+ 388.996938 186.8
[M-H]- 365.000444 183.2
[M+NH4]+ 384.041543 191.9
[M+K]+ 404.970878 180.9
[M+H-H2O]+ 349.004980 173.5
[M+HCOO]- 411.005921 190.2
[M+CH3COO]- 425.021571 207.3
[M+Na-2H]- 386.982386 176.6
[M]+ 366.00717142 183.9
[M]- 366.00826858 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.