CID 319089

Nsc260594

Structural Information

Molecular Formula
C29H24N6O3
SMILES
CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1
InChI
InChI=1S/C29H24N6O3/c1-33-16-13-24(14-17-33)30-21-7-9-23(10-8-21)32-29(36)20-3-5-22(6-4-20)31-27-15-18-34(2)28-12-11-25(35(37)38)19-26(27)28/h3-19H,1-2H3,(H,32,36)
InChIKey
SDVVSJQTYKFAFR-UHFFFAOYSA-N
Compound name
4-[(1-methyl-6-nitroquinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

12
Patents

504.19098 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.19826 220.6
[M+Na]+ 527.18020 238.2
[M+NH4]+ 522.22480 226.6
[M+K]+ 543.15414 230.5
[M-H]- 503.18370 232.2
[M+Na-2H]- 525.16565 232.9
[M]+ 504.19043 226.3
[M]- 504.19153 226.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe