CID 3048103

In 215

Structural Information

Molecular Formula
C20H27N3
SMILES
CC1=[N+](C=CC2=C1N=C3C2C=CC=C3)CCC[N+]4(CCCC4)C
InChI
InChI=1S/C20H27N3/c1-16-20-18(17-8-3-4-9-19(17)21-20)10-12-22(16)11-7-15-23(2)13-5-6-14-23/h3-4,8-10,12,17H,5-7,11,13-15H2,1-2H3/q+2
InChIKey
JOUQRFARRKVVTF-UHFFFAOYSA-N
Compound name
1-methyl-2-[3-(1-methylpyrrolidin-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

309.2205 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.22778 173.1
[M+Na]+ 332.20972 190.4
[M+NH4]+ 327.25432 185.9
[M+K]+ 348.18366 184.0
[M-H]- 308.21322 180.3
[M+Na-2H]- 330.19517 181.9
[M]+ 309.21995 178.6
[M]- 309.22105 178.6
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.