CID 205487

N-(py)-propyltetrahydroharmane hydrochloride

Structural Information

Molecular Formula
C15H20N2
SMILES
CCCN1CCC2=C(C1C)NC3=CC=CC=C23
InChI
InChI=1S/C15H20N2/c1-3-9-17-10-8-13-12-6-4-5-7-14(12)16-15(13)11(17)2/h4-7,11,16H,3,8-10H2,1-2H3
InChIKey
ZWANGODHJGISHB-UHFFFAOYSA-N
Compound name
1-methyl-2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 154.2
[M+Na]+ 251.15186 163.2
[M-H]- 227.15536 155.5
[M+NH4]+ 246.19646 173.4
[M+K]+ 267.12580 157.3
[M+H-H2O]+ 211.15990 146.7
[M+HCOO]- 273.16084 171.6
[M+CH3COO]- 287.17649 165.8
[M+Na-2H]- 249.13731 158.8
[M]+ 228.16209 153.4
[M]- 228.16319 153.4
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.