CID 3048099

9h-pyrido(3,4-b)indolium, 2,2'-hexamethylenebis(1,9-dimethyl-, dibromide

Structural Information

Molecular Formula
C32H36N4
SMILES
CC1=[N+](C=CC2=C1N(C3=CC=CC=C23)C)CCCCCC[N+]4=C(C5=C(C=C4)C6=CC=CC=C6N5C)C
InChI
InChI=1S/C32H36N4/c1-23-31-27(25-13-7-9-15-29(25)33(31)3)17-21-35(23)19-11-5-6-12-20-36-22-18-28-26-14-8-10-16-30(26)34(4)32(28)24(36)2/h7-10,13-18,21-22H,5-6,11-12,19-20H2,1-4H3/q+2
InChIKey
XGAXGAJBGRIHDX-UHFFFAOYSA-N
Compound name
2-[6-(1,9-dimethylpyrido[3,4-b]indol-2-ium-2-yl)hexyl]-1,9-dimethylpyrido[3,4-b]indol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.294 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.30128 236.1
[M+Na]+ 499.28322 247.0
[M-H]- 475.28672 243.0
[M+NH4]+ 494.32782 245.7
[M+K]+ 515.25716 225.9
[M+H-H2O]+ 459.29126 228.1
[M+HCOO]- 521.29220 250.9
[M+CH3COO]- 535.30785 232.0
[M+Na-2H]- 497.26867 239.3
[M]+ 476.29345 243.0
[M]- 476.29455 243.0
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.