CID 114225

2h-pyrido(3,4-b)indolium, 9,9'-(1,5-pentanediyl)bis(1,2-dimethyl-, dibromide

Structural Information

Molecular Formula
C31H34N4
SMILES
CC1=[N+](C=CC2=C1N(C3=CC=CC=C23)CCCCCN4C5=CC=CC=C5C6=C4C(=[N+](C=C6)C)C)C
InChI
InChI=1S/C31H34N4/c1-22-30-26(16-20-32(22)3)24-12-6-8-14-28(24)34(30)18-10-5-11-19-35-29-15-9-7-13-25(29)27-17-21-33(4)23(2)31(27)35/h6-9,12-17,20-21H,5,10-11,18-19H2,1-4H3/q+2
InChIKey
RXJFWALAYMFRSX-UHFFFAOYSA-N
Compound name
9-[5-(1,2-dimethylpyrido[3,4-b]indol-2-ium-9-yl)pentyl]-1,2-dimethylpyrido[3,4-b]indol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.27835 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.28563 218.4
[M+Na]+ 485.26757 242.3
[M+NH4]+ 480.31217 229.2
[M+K]+ 501.24151 234.3
[M-H]- 461.27107 227.8
[M+Na-2H]- 483.25302 226.9
[M]+ 462.27780 225.8
[M]- 462.27890 225.8
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.