CID 9631913

3-(2-(3-hydroxy-2-naphthoyl)carbohydrazonoyl)phenyl 4-methoxybenzoate

Structural Information

Molecular Formula
C26H20N2O5
SMILES
COC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)/C=N/NC(=O)C3=CC4=CC=CC=C4C=C3O
InChI
InChI=1S/C26H20N2O5/c1-32-21-11-9-18(10-12-21)26(31)33-22-8-4-5-17(13-22)16-27-28-25(30)23-14-19-6-2-3-7-20(19)15-24(23)29/h2-16,29H,1H3,(H,28,30)/b27-16+
InChIKey
QDALAPZCKUNEBR-JVWAILMASA-N
Compound name
[3-[(E)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1372 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.14448 204.2
[M+Na]+ 463.12642 209.1
[M-H]- 439.12992 214.3
[M+NH4]+ 458.17102 212.6
[M+K]+ 479.10036 205.0
[M+H-H2O]+ 423.13446 192.7
[M+HCOO]- 485.13540 226.4
[M+CH3COO]- 499.15105 234.7
[M+Na-2H]- 461.11187 207.6
[M]+ 440.13665 206.7
[M]- 440.13775 206.7
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.