CID 44356

63041-19-0

Structural Information

Molecular Formula
C13H15N3O5
SMILES
C1=CN=CC=C1C(=O)NN=C(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C13H15N3O5/c17-11(18)3-1-10(2-4-12(19)20)15-16-13(21)9-5-7-14-8-6-9/h5-8H,1-4H2,(H,16,21)(H,17,18)(H,19,20)
InChIKey
KVKTWIRECGLOBN-UHFFFAOYSA-N
Compound name
4-(pyridine-4-carbonylhydrazinylidene)heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10117 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.108446 165.1
[M+Na]+ 316.090388 168.2
[M-H]- 292.093894 165.3
[M+NH4]+ 311.134993 176.8
[M+K]+ 332.064328 167.0
[M+H-H2O]+ 276.098430 156.7
[M+HCOO]- 338.099371 185.5
[M+CH3COO]- 352.115021 203.0
[M+Na-2H]- 314.075836 166.9
[M]+ 293.10062142 165.1
[M]- 293.10171858 165.1
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.