CID 3048101

In 221

Structural Information

Molecular Formula
C21H29N3
SMILES
CC1=[N+](C=CC2=C1N=C3C2C=CC=C3)CCC[N+]4(CCCCC4)C
InChI
InChI=1S/C21H29N3/c1-17-21-19(18-9-4-5-10-20(18)22-21)11-13-23(17)12-8-16-24(2)14-6-3-7-15-24/h4-5,9-11,13,18H,3,6-8,12,14-16H2,1-2H3/q+2
InChIKey
DHGWYSLKSILWKE-UHFFFAOYSA-N
Compound name
1-methyl-2-[3-(1-methylpiperidin-1-ium-1-yl)propyl]-4bH-pyrido[3,4-b]indol-2-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.23615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.24343 178.6
[M+Na]+ 346.22537 196.9
[M+NH4]+ 341.26997 191.5
[M+K]+ 362.19931 187.9
[M-H]- 322.22887 186.5
[M+Na-2H]- 344.21082 188.0
[M]+ 323.23560 184.5
[M]- 323.23670 184.5
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.