CID 487259

4-[(4-amino-2-hydroxy-benzoyl)hydrazono]heptanedioic acid

Structural Information

Molecular Formula
C14H17N3O6
SMILES
C1=CC(=C(C=C1N)O)C(=O)NN=C(CCC(=O)O)CCC(=O)O
InChI
InChI=1S/C14H17N3O6/c15-8-1-4-10(11(18)7-8)14(23)17-16-9(2-5-12(19)20)3-6-13(21)22/h1,4,7,18H,2-3,5-6,15H2,(H,17,23)(H,19,20)(H,21,22)
InChIKey
DUWCCKYGRKSHSO-UHFFFAOYSA-N
Compound name
4-[(4-amino-2-hydroxybenzoyl)hydrazinylidene]heptanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.11172 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.11900 171.9
[M+Na]+ 346.10094 174.9
[M-H]- 322.10444 172.0
[M+NH4]+ 341.14554 182.8
[M+K]+ 362.07488 173.6
[M+H-H2O]+ 306.10898 164.1
[M+HCOO]- 368.10992 192.1
[M+CH3COO]- 382.12557 211.3
[M+Na-2H]- 344.08639 170.4
[M]+ 323.11117 170.3
[M]- 323.11227 170.3
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.