CID 3042647

Pyridinium, 4,4'-(suberoylbis(imino-p-phenyleneimino))bis(1-methyl-, dibromide

Structural Information

Molecular Formula
C32H38N6O2
SMILES
C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)CCCCCCC(=O)NC3=CC=C(C=C3)NC4=CC=[N+](C=C4)C
InChI
InChI=1S/C32H36N6O2/c1-37-21-17-29(18-22-37)33-25-9-13-27(14-10-25)35-31(39)7-5-3-4-6-8-32(40)36-28-15-11-26(12-16-28)34-30-19-23-38(2)24-20-30/h9-24H,3-8H2,1-2H3,(H2,35,36,39,40)/p+2
InChIKey
DLVJXYLPSQFZAO-UHFFFAOYSA-P
Compound name
N,N'-bis[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]octanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

538.3056 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.31288 236.6
[M+Na]+ 561.29482 235.7
[M-H]- 537.29832 245.0
[M+NH4]+ 556.33942 235.6
[M+K]+ 577.26876 217.5
[M+H-H2O]+ 521.30286 226.7
[M+HCOO]- 583.30380 255.4
[M+CH3COO]- 597.31945 245.5
[M+Na-2H]- 559.28027 242.8
[M]+ 538.30505 233.4
[M]- 538.30615 233.4
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.