CID 51060160

1-(2-(2,4-dihydroxybenzoyl)carbohydrazonoyl)-2-naphthyl benzoate

Structural Information

Molecular Formula
C25H18N2O5
SMILES
C1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=C(C=C(C=C4)O)O
InChI
InChI=1S/C25H18N2O5/c28-18-11-12-20(22(29)14-18)24(30)27-26-15-21-19-9-5-4-6-16(19)10-13-23(21)32-25(31)17-7-2-1-3-8-17/h1-15,28-29H,(H,27,30)/b26-15+
InChIKey
JFQMWQJHPORBHI-CVKSISIWSA-N
Compound name
[1-[(E)-[(2,4-dihydroxybenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] benzoate
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]+ 427.12886 199.1
[M+Na]+ 449.11080 204.2
[M-H]- 425.11430 208.2
[M+NH4]+ 444.15540 207.5
[M+K]+ 465.08474 199.5
[M+H-H2O]+ 409.11884 188.3
[M+HCOO]- 471.11978 220.3
[M+CH3COO]- 485.13543 229.8
[M+Na-2H]- 447.09625 202.8
[M]+ 426.12103 199.7
[M]- 426.12213 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.