CID 24777266

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

Structural Information

Molecular Formula
C31H30N4O
SMILES
CCCCCCNC(=O)C1=CC(=NC2=CC=CC=C21)N/N=C/C3=C4C=CC=CC4=CC5=CC=CC=C53
InChI
InChI=1S/C31H30N4O/c1-2-3-4-11-18-32-31(36)27-20-30(34-29-17-10-9-16-26(27)29)35-33-21-28-24-14-7-5-12-22(24)19-23-13-6-8-15-25(23)28/h5-10,12-17,19-21H,2-4,11,18H2,1H3,(H,32,36)(H,34,35)/b33-21+
InChIKey
NHUWPZYJMZIJSE-QNKGDIEWSA-N
Compound name
2-[(2E)-2-(anthracen-9-ylmethylidene)hydrazinyl]-N-hexylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.24197 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.24925 215.9
[M+Na]+ 497.23119 220.9
[M-H]- 473.23469 223.5
[M+NH4]+ 492.27579 224.3
[M+K]+ 513.20513 212.5
[M+H-H2O]+ 457.23923 202.7
[M+HCOO]- 519.24017 236.8
[M+CH3COO]- 533.25582 222.8
[M+Na-2H]- 495.21664 223.3
[M]+ 474.24142 218.5
[M]- 474.24252 218.5
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.