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 194.0
[M+Na]+ 382.22537 200.8
[M-H]- 358.22887 200.0
[M+NH4]+ 377.26997 206.9
[M+K]+ 398.19931 182.5
[M+H-H2O]+ 342.23341 189.1
[M+HCOO]- 404.23435 211.8
[M+CH3COO]- 418.25000 208.3
[M+Na-2H]- 380.21082 204.2
[M]+ 359.23560 194.0
[M]- 359.23670 194.0
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.