CID 45054639

4-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)phenyl 1-naphthoate

Structural Information

Molecular Formula
C25H18N2O5
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)OC3=CC=C(C=C3)/C=N/NC(=O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C25H18N2O5/c28-18-10-13-22(23(29)14-18)24(30)27-26-15-16-8-11-19(12-9-16)32-25(31)21-7-3-5-17-4-1-2-6-20(17)21/h1-15,28-29H,(H,27,30)/b26-15+
InChIKey
IEWQUYOQXKVHCF-CVKSISIWSA-N
Compound name
[4-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.12158 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.128856 199.1
[M+Na]+ 449.110798 204.2
[M-H]- 425.114304 208.2
[M+NH4]+ 444.155403 207.5
[M+K]+ 465.084738 199.5
[M+H-H2O]+ 409.118840 188.3
[M+HCOO]- 471.119781 220.3
[M+CH3COO]- 485.135431 229.8
[M+Na-2H]- 447.096246 202.8
[M]+ 426.12103142 199.7
[M]- 426.12212858 199.7
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.