CID 71167

Fenharmane

Structural Information

Molecular Formula
C18H18N2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)CC4=CC=CC=C4
InChI
InChI=1S/C18H18N2/c1-2-6-13(7-3-1)12-17-18-15(10-11-19-17)14-8-4-5-9-16(14)20-18/h1-9,17,19-20H,10-12H2
InChIKey
LHVNPTMRAQQPID-UHFFFAOYSA-N
Compound name
1-benzyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

262.147 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 160.0
[M+Na]+ 285.13622 167.7
[M-H]- 261.13972 162.9
[M+NH4]+ 280.18082 176.2
[M+K]+ 301.11016 159.5
[M+H-H2O]+ 245.14426 151.4
[M+HCOO]- 307.14520 176.4
[M+CH3COO]- 321.16085 170.4
[M+Na-2H]- 283.12167 165.7
[M]+ 262.14645 155.5
[M]- 262.14755 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe