CID 3047561

In 274

Structural Information

Molecular Formula
C19H31N3
SMILES
CC1C2=C(CC[N+]1(C)CCC[N+](C)(C)C)C3=CC=CC=C3N2
InChI
InChI=1S/C19H31N3/c1-15-19-17(16-9-6-7-10-18(16)20-19)11-14-22(15,5)13-8-12-21(2,3)4/h6-7,9-10,15,20H,8,11-14H2,1-5H3/q+2
InChIKey
WEKFXEJLTYQDTL-UHFFFAOYSA-N
Compound name
3-(1,2-dimethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.2518 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.25908 172.5
[M+Na]+ 324.24102 179.8
[M-H]- 300.24452 175.5
[M+NH4]+ 319.28562 190.8
[M+K]+ 340.21496 163.5
[M+H-H2O]+ 284.24906 170.3
[M+HCOO]- 346.25000 188.3
[M+CH3COO]- 360.26565 197.6
[M+Na-2H]- 322.22647 183.0
[M]+ 301.25125 170.6
[M]- 301.25235 170.6
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.