CID 791998

2,3,4,9-tetrahydro-1-((3,4-dimethoxyphenyl)methyl)-1h-pyrido(3,4-b)indole

Structural Information

Molecular Formula
C20H22N2O2
SMILES
COC1=C(C=C(C=C1)CN2CCC3=C(C2)NC4=CC=CC=C34)OC
InChI
InChI=1S/C20H22N2O2/c1-23-19-8-7-14(11-20(19)24-2)12-22-10-9-16-15-5-3-4-6-17(15)21-18(16)13-22/h3-8,11,21H,9-10,12-13H2,1-2H3
InChIKey
MVAKJPBBDFAECM-UHFFFAOYSA-N
Compound name
2-[(3,4-dimethoxyphenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

322.16812 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.17540 177.2
[M+Na]+ 345.15734 185.7
[M-H]- 321.16084 181.8
[M+NH4]+ 340.20194 192.0
[M+K]+ 361.13128 179.3
[M+H-H2O]+ 305.16538 167.8
[M+HCOO]- 367.16632 194.5
[M+CH3COO]- 381.18197 187.5
[M+Na-2H]- 343.14279 180.7
[M]+ 322.16757 178.6
[M]- 322.16867 178.6
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

No patent data available for this compound.