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]+ 263.154276 160.7
[M+Na]+ 285.136218 169.1
[M-H]- 261.139724 166.2
[M+NH4]+ 280.180823 178.2
[M+K]+ 301.110158 162.5
[M+H-H2O]+ 245.144260 151.1
[M+HCOO]- 307.145201 179.9
[M+CH3COO]- 321.160851 172.2
[M+Na-2H]- 283.121666 166.9
[M]+ 262.14645142 159.5
[M]- 262.14754858 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.