CID 3048108

In 182

Structural Information

Molecular Formula
C21H31N3
SMILES
CC[N+](CC)(CC)CCC[N+]1=C(C2=C(C=C1)C3=CC=CC=C3N2)C
InChI
InChI=1S/C21H30N3/c1-5-24(6-2,7-3)16-10-14-23-15-13-19-18-11-8-9-12-20(18)22-21(19)17(23)4/h8-9,11-13,15H,5-7,10,14,16H2,1-4H3/q+1/p+1
InChIKey
CXXKJIAVGDFIGA-UHFFFAOYSA-O
Compound name
triethyl-[3-(1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.2518 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.25908 184.3
[M+Na]+ 348.24102 191.6
[M-H]- 324.24452 187.4
[M+NH4]+ 343.28562 199.4
[M+K]+ 364.21496 174.5
[M+H-H2O]+ 308.24906 181.1
[M+HCOO]- 370.25000 202.1
[M+CH3COO]- 384.26565 203.4
[M+Na-2H]- 346.22647 194.3
[M]+ 325.25125 186.0
[M]- 325.25235 186.0
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.