CID 45055323

N-(2-(2-(4-((4-chlorobenzyl)oxy)benzylidene)hydrazino)-2-oxoethyl)-1-naphthamide

Structural Information

Molecular Formula
C27H22ClN3O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)N/N=C/C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H22ClN3O3/c28-22-12-8-20(9-13-22)18-34-23-14-10-19(11-15-23)16-30-31-26(32)17-29-27(33)25-7-3-5-21-4-1-2-6-24(21)25/h1-16H,17-18H2,(H,29,33)(H,31,32)/b30-16+
InChIKey
FRTQTJFAMIXVGG-OKCVXOCRSA-N
Compound name
N-[2-[(2E)-2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.13498 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.14226 212.7
[M+Na]+ 494.12420 217.3
[M-H]- 470.12770 223.2
[M+NH4]+ 489.16880 221.2
[M+K]+ 510.09814 210.6
[M+H-H2O]+ 454.13224 201.5
[M+HCOO]- 516.13318 232.5
[M+CH3COO]- 530.14883 242.5
[M+Na-2H]- 492.10965 216.6
[M]+ 471.13443 216.4
[M]- 471.13553 216.4
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.