CID 45054435

1-(2-(3-nitrobenzoyl)carbohydrazonoyl)-2-naphthyl 3,4-dimethoxybenzoate

Structural Information

Molecular Formula
C27H21N3O7
SMILES
COC1=C(C=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)/C=N/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC
InChI
InChI=1S/C27H21N3O7/c1-35-24-13-11-19(15-25(24)36-2)27(32)37-23-12-10-17-6-3-4-9-21(17)22(23)16-28-29-26(31)18-7-5-8-20(14-18)30(33)34/h3-16H,1-2H3,(H,29,31)/b28-16+
InChIKey
GHMPUCXMAWJASU-LQKURTRISA-N
Compound name
[1-[(E)-[(3-nitrobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 3,4-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.13794 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.14522 216.3
[M+Na]+ 522.12716 230.2
[M+NH4]+ 517.17176 221.1
[M+K]+ 538.10110 225.5
[M-H]- 498.13066 224.0
[M+Na-2H]- 520.11261 224.4
[M]+ 499.13739 220.1
[M]- 499.13849 220.1
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.