CID 114137

In 178

Structural Information

Molecular Formula
C21H30N3
SMILES
CC1=C2C(=C3C=CC=CC3=N2)C=CN1CCCCCC[N+](C)(C)C
InChI
InChI=1S/C21H30N3/c1-17-21-19(18-11-7-8-12-20(18)22-21)13-15-23(17)14-9-5-6-10-16-24(2,3)4/h7-8,11-13,15H,5-6,9-10,14,16H2,1-4H3/q+1
InChIKey
GWZWTRKRPYCXES-UHFFFAOYSA-N
Compound name
trimethyl-[6-(1-methylpyrido[3,4-b]indol-2-yl)hexyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.244 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.25128 183.6
[M+Na]+ 347.23322 191.8
[M-H]- 323.23672 187.8
[M+NH4]+ 342.27782 200.0
[M+K]+ 363.20716 180.6
[M+H-H2O]+ 307.24126 177.4
[M+HCOO]- 369.24220 203.5
[M+CH3COO]- 383.25785 212.0
[M+Na-2H]- 345.21867 191.6
[M]+ 324.24345 188.3
[M]- 324.24455 188.3
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.