CID 487258

4-(benzoylhydrazono)heptanedioic acid

Structural Information

Molecular Formula
C14H16N2O5
SMILES
C1=CC=C(C=C1)C(=O)NN=C(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C14H16N2O5/c17-12(18)8-6-11(7-9-13(19)20)15-16-14(21)10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,21)(H,17,18)(H,19,20)
InChIKey
JHRWFEUXWLMFSU-UHFFFAOYSA-N
Compound name
4-(benzoylhydrazinylidene)heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11321 166.3
[M+Na]+ 315.09515 169.0
[M-H]- 291.09865 167.6
[M+NH4]+ 310.13975 179.3
[M+K]+ 331.06909 167.6
[M+H-H2O]+ 275.10319 158.5
[M+HCOO]- 337.10413 187.5
[M+CH3COO]- 351.11978 203.3
[M+Na-2H]- 313.08060 167.2
[M]+ 292.10538 166.1
[M]- 292.10648 166.1
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.