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]+ 225.13863 151.4
[M+Na]+ 247.12057 162.6
[M-H]- 223.12407 153.6
[M+NH4]+ 242.16517 171.0
[M+K]+ 263.09451 156.3
[M+H-H2O]+ 207.12861 144.1
[M+HCOO]- 269.12955 171.8
[M+CH3COO]- 283.14520 164.2
[M+Na-2H]- 245.10602 158.1
[M]+ 224.13080 153.5
[M]- 224.13190 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.