CID 24777127

2-[(2e)-2-(9-anthrylmethylene)hydrazino]-n-benzyl-quinoline-4-carboxamide

Structural Information

Molecular Formula
C32H24N4O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=CC(=NC3=CC=CC=C32)N/N=C/C4=C5C=CC=CC5=CC6=CC=CC=C64
InChI
InChI=1S/C32H24N4O/c37-32(33-20-22-10-2-1-3-11-22)28-19-31(35-30-17-9-8-16-27(28)30)36-34-21-29-25-14-6-4-12-23(25)18-24-13-5-7-15-26(24)29/h1-19,21H,20H2,(H,33,37)(H,35,36)/b34-21+
InChIKey
XQTPEYJBJOUEHZ-KEIPNQJHSA-N
Compound name
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-benzylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.195 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20228 213.2
[M+Na]+ 503.18422 218.8
[M-H]- 479.18772 223.9
[M+NH4]+ 498.22882 220.4
[M+K]+ 519.15816 210.0
[M+H-H2O]+ 463.19226 198.9
[M+HCOO]- 525.19320 234.5
[M+CH3COO]- 539.20885 220.4
[M+Na-2H]- 501.16967 222.5
[M]+ 480.19445 213.3
[M]- 480.19555 213.3
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.