CID 3048095

In 217

Structural Information

Molecular Formula
C24H29N3
SMILES
CC1=[N+](C=CC2=C1NC3=CC=CC=C23)CCC[N+](C)(C)CC4=CC=CC=C4
InChI
InChI=1S/C24H28N3/c1-19-24-22(21-12-7-8-13-23(21)25-24)14-16-26(19)15-9-17-27(2,3)18-20-10-5-4-6-11-20/h4-8,10-14,16H,9,15,17-18H2,1-3H3/q+1/p+1
InChIKey
CFWGZFYAGIBFNI-UHFFFAOYSA-O
Compound name
benzyl-dimethyl-[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

359.23615 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.24343 186.3
[M+Na]+ 382.22537 205.9
[M+NH4]+ 377.26997 197.6
[M+K]+ 398.19931 198.6
[M-H]- 358.22887 195.4
[M+Na-2H]- 380.21082 197.2
[M]+ 359.23560 192.8
[M]- 359.23670 192.8
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.