CID 114143

In 264

Structural Information

Molecular Formula
C17H23N3
SMILES
C[N+](C)(C)CCC[N+]1=CC=CC2=C1C3=CC=CC=C3N2
InChI
InChI=1S/C17H22N3/c1-20(2,3)13-7-12-19-11-6-10-16-17(19)14-8-4-5-9-15(14)18-16/h4-6,8-11H,7,12-13H2,1-3H3/q+1/p+1
InChIKey
CPOBLYZGTCYYJU-UHFFFAOYSA-O
Compound name
trimethyl-[3-(5H-pyrido[3,2-b]indol-1-ium-1-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1892 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.19648 165.0
[M+Na]+ 292.17842 173.3
[M-H]- 268.18192 168.5
[M+NH4]+ 287.22302 182.1
[M+K]+ 308.15236 157.1
[M+H-H2O]+ 252.18646 162.5
[M+HCOO]- 314.18740 184.3
[M+CH3COO]- 328.20305 190.6
[M+Na-2H]- 290.16387 177.9
[M]+ 269.18865 165.1
[M]- 269.18975 165.1
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.