CID 6436387

2-butenoic acid, 4,4'-(1,3-phenylenediimino)bis[4-oxo-, (2z,2'z)-

Structural Information

Molecular Formula
C14H12N2O6
SMILES
C1=CC(=CC(=C1)NC(=O)/C=C\C(=O)O)NC(=O)/C=C\C(=O)O
InChI
InChI=1S/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)/b6-4-,7-5-
InChIKey
SKDIMRRKRVTENP-PEPZGXQESA-N
Compound name
(Z)-4-[3-[[(Z)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

72
Patents

304.06955 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.076826 166.4
[M+Na]+ 327.058768 170.2
[M-H]- 303.062274 166.8
[M+NH4]+ 322.103373 178.4
[M+K]+ 343.032708 167.5
[M+H-H2O]+ 287.066810 159.1
[M+HCOO]- 349.067751 186.7
[M+CH3COO]- 363.083401 201.9
[M+Na-2H]- 325.044216 166.2
[M]+ 304.06900142 164.6
[M]- 304.07009858 164.6
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

patents stripe