CID 51060430

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

Structural Information

Molecular Formula
C28H25N3O3
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)/C=N/NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C28H25N3O3/c1-20-9-11-22(12-10-20)19-34-24-15-13-21(14-16-24)17-30-31-27(32)18-29-28(33)26-8-4-6-23-5-2-3-7-25(23)26/h2-17H,18-19H2,1H3,(H,29,33)(H,31,32)/b30-17+
InChIKey
WHCCQXAOTLTGNU-OCSSWDANSA-N
Compound name
N-[2-[(2E)-2-[[4-[(4-methylphenyl)methoxy]phenyl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.1896 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.19688 209.7
[M+Na]+ 474.17882 212.9
[M-H]- 450.18232 220.2
[M+NH4]+ 469.22342 217.9
[M+K]+ 490.15276 207.4
[M+H-H2O]+ 434.18686 197.5
[M+HCOO]- 496.18780 233.4
[M+CH3COO]- 510.20345 242.1
[M+Na-2H]- 472.16427 213.5
[M]+ 451.18905 210.8
[M]- 451.19015 210.8
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.