CID 201170

3380-74-3

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)OC
InChI
InChI=1S/C19H20N2O2/c1-22-16-8-7-12(11-17(16)23-2)18-19-14(9-10-20-18)13-5-3-4-6-15(13)21-19/h3-8,11,18,20-21H,9-10H2,1-2H3
InChIKey
ROOBULYVOVIYRW-UHFFFAOYSA-N
Compound name
1-(3,4-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

49
Patents

308.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15975 173.6
[M+Na]+ 331.14169 188.6
[M+NH4]+ 326.18629 182.1
[M+K]+ 347.11563 182.0
[M-H]- 307.14519 177.4
[M+Na-2H]- 329.12714 179.9
[M]+ 308.15192 176.9
[M]- 308.15302 176.9
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