CID 5745943

9h-pyrido(3,4-b)indole, 3-methyl-1-propyl-, hydrochloride

Structural Information

Molecular Formula
C15H16N2
SMILES
CCCC1=NC(=CC2=C1NC3=CC=CC=C32)C
InChI
InChI=1S/C15H16N2/c1-3-6-14-15-12(9-10(2)16-14)11-7-4-5-8-13(11)17-15/h4-5,7-9,17H,3,6H2,1-2H3
InChIKey
XRDKZQAUHQCXDU-UHFFFAOYSA-N
Compound name
3-methyl-1-propyl-9H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.13135 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.138626 151.4
[M+Na]+ 247.120568 162.6
[M-H]- 223.124074 153.6
[M+NH4]+ 242.165173 171.0
[M+K]+ 263.094508 156.3
[M+H-H2O]+ 207.128610 144.1
[M+HCOO]- 269.129551 171.8
[M+CH3COO]- 283.145201 164.2
[M+Na-2H]- 245.106016 158.1
[M]+ 224.13080142 153.5
[M]- 224.13189858 153.5
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.