CID 217857

39744-92-8

Structural Information

Molecular Formula
C18H18N2
SMILES
C1CCC2=C(C1)C3=C(N2CC4=CC=CC=C4)C=CN=C3
InChI
InChI=1S/C18H18N2/c1-2-6-14(7-3-1)13-20-17-9-5-4-8-15(17)16-12-19-11-10-18(16)20/h1-3,6-7,10-12H,4-5,8-9,13H2
InChIKey
GTDDVJUAOQWSOE-UHFFFAOYSA-N
Compound name
5-benzyl-6,7,8,9-tetrahydropyrido[4,3-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.147 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 160.7
[M+Na]+ 285.13622 169.1
[M-H]- 261.13972 166.2
[M+NH4]+ 280.18082 178.2
[M+K]+ 301.11016 162.5
[M+H-H2O]+ 245.14426 151.1
[M+HCOO]- 307.14520 179.9
[M+CH3COO]- 321.16085 172.2
[M+Na-2H]- 283.12167 166.9
[M]+ 262.14645 159.5
[M]- 262.14755 159.5
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.