CID 57353935

Ns00124881

Structural Information

Molecular Formula
C36H28N4O4
SMILES
CC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2)OC)NN=C3C4=CC=CC=C4C=C(C3=O)C(=O)NC5=CC=CC6=CC=CC=C65
InChI
InChI=1S/C36H28N4O4/c1-22-19-31(32(44-2)21-30(22)38-35(42)24-12-4-3-5-13-24)39-40-33-27-17-9-7-14-25(27)20-28(34(33)41)36(43)37-29-18-10-15-23-11-6-8-16-26(23)29/h3-21,39H,1-2H3,(H,37,43)(H,38,42)
InChIKey
IFDXVFMNOWZAEE-UHFFFAOYSA-N
Compound name
4-[(4-benzamido-2-methoxy-5-methylphenyl)hydrazinylidene]-N-naphthalen-1-yl-3-oxonaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.21106 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.218336 238.3
[M+Na]+ 603.200278 241.0
[M-H]- 579.203784 251.9
[M+NH4]+ 598.244883 241.0
[M+K]+ 619.174218 235.8
[M+H-H2O]+ 563.208320 223.5
[M+HCOO]- 625.209261 258.7
[M+CH3COO]- 639.224911 243.5
[M+Na-2H]- 601.185726 241.0
[M]+ 580.21051142 237.8
[M]- 580.21160858 237.8
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.