CID 3048529

In-203

Structural Information

Molecular Formula
C19H27N3
SMILES
CC1=[N+](C=CC2=C1N(C3=CC=CC=C23)C)CCC[N+](C)(C)C
InChI
InChI=1S/C19H27N3/c1-15-19-17(16-9-6-7-10-18(16)20(19)2)11-13-21(15)12-8-14-22(3,4)5/h6-7,9-11,13H,8,12,14H2,1-5H3/q+2
InChIKey
FIZIELYKGKOAQH-UHFFFAOYSA-N
Compound name
3-(1,9-dimethylpyrido[3,4-b]indol-2-ium-2-yl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.2205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.22778 168.9
[M+Na]+ 320.20972 187.7
[M+NH4]+ 315.25432 180.3
[M+K]+ 336.18366 181.8
[M-H]- 296.21322 175.9
[M+Na-2H]- 318.19517 177.6
[M]+ 297.21995 174.7
[M]- 297.22105 174.7
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.