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 175.1
[M+Na]+ 320.20972 184.7
[M-H]- 296.21322 180.3
[M+NH4]+ 315.25432 192.4
[M+K]+ 336.18366 168.9
[M+H-H2O]+ 280.21776 172.3
[M+HCOO]- 342.21870 195.1
[M+CH3COO]- 356.23435 201.3
[M+Na-2H]- 318.19517 185.9
[M]+ 297.21995 178.2
[M]- 297.22105 178.2
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.