CID 3048091

9h-pyrido(3,4-b)indolium, 2-(3-(diethylmethylammonio)propyl)-1-methyl-, dibromide

Structural Information

Molecular Formula
C20H29N3
SMILES
CC[N+](C)(CC)CCC[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C
InChI
InChI=1S/C20H28N3/c1-5-23(4,6-2)15-9-13-22-14-12-18-17-10-7-8-11-19(17)21-20(18)16(22)3/h7-8,10-12,14H,5-6,9,13,15H2,1-4H3/q+1/p+1
InChIKey
LUJJNOUFUSOMCO-UHFFFAOYSA-O
Compound name
diethyl-methyl-[3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.23615 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.24343 173.2
[M+Na]+ 334.22537 190.9
[M+NH4]+ 329.26997 184.1
[M+K]+ 350.19931 184.9
[M-H]- 310.22887 179.7
[M+Na-2H]- 332.21082 181.3
[M]+ 311.23560 178.5
[M]- 311.23670 178.5
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.