CID 114145

In 226

Structural Information

Molecular Formula
C17H23N3
SMILES
C[N+](C)(C)CCC[N+]1=CC2=C(C=C1)NC3=CC=CC=C32
InChI
InChI=1S/C17H22N3/c1-20(2,3)12-6-10-19-11-9-17-15(13-19)14-7-4-5-8-16(14)18-17/h4-5,7-9,11,13H,6,10,12H2,1-3H3/q+1/p+1
InChIKey
PVJMPAJZIXHMBO-UHFFFAOYSA-O
Compound name
trimethyl-[3-(5H-pyrido[4,3-b]indol-2-ium-2-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1892 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19648 159.0
[M+Na]+ 292.17842 177.0
[M+NH4]+ 287.22302 170.4
[M+K]+ 308.15236 171.6
[M-H]- 268.18192 165.5
[M+Na-2H]- 290.16387 168.2
[M]+ 269.18865 164.4
[M]- 269.18975 164.4
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.