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]+ 323.175396 177.2
[M+Na]+ 345.157338 185.7
[M-H]- 321.160844 181.8
[M+NH4]+ 340.201943 192.0
[M+K]+ 361.131278 179.3
[M+H-H2O]+ 305.165380 167.8
[M+HCOO]- 367.166321 194.5
[M+CH3COO]- 381.181971 187.5
[M+Na-2H]- 343.142786 180.7
[M]+ 322.16757142 178.6
[M]- 322.16866858 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.