CID 202952

6-fluoro-4-methyl-1-phenyl-1,2,3,4-tetrahydro-9h-pyrido(3,4-b)indole hydrochloride

Structural Information

Molecular Formula
C18H17FN2
SMILES
CC1CNC(C2=C1C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4
InChI
InChI=1S/C18H17FN2/c1-11-10-20-17(12-5-3-2-4-6-12)18-16(11)14-9-13(19)7-8-15(14)21-18/h2-9,11,17,20-21H,10H2,1H3
InChIKey
JSWQUKULKMHLII-UHFFFAOYSA-N
Compound name
6-fluoro-4-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13757 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14485 164.6
[M+Na]+ 303.12679 174.2
[M-H]- 279.13029 167.0
[M+NH4]+ 298.17139 180.7
[M+K]+ 319.10073 165.5
[M+H-H2O]+ 263.13483 155.4
[M+HCOO]- 325.13577 179.8
[M+CH3COO]- 339.15142 175.0
[M+Na-2H]- 301.11224 168.1
[M]+ 280.13702 160.0
[M]- 280.13812 160.0
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.