CID 3337812

1158522-85-0

Structural Information

Molecular Formula
C19H20N2O2
SMILES
COC1=CC=C(C=C1)C2C3=C(CCN2)C4=C(N3)C=CC(=C4)OC
InChI
InChI=1S/C19H20N2O2/c1-22-13-5-3-12(4-6-13)18-19-15(9-10-20-18)16-11-14(23-2)7-8-17(16)21-19/h3-8,11,18,20-21H,9-10H2,1-2H3
InChIKey
RQWIEAZGOSQJEN-UHFFFAOYSA-N
Compound name
6-methoxy-1-(4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

308.15247 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.159746 172.4
[M+Na]+ 331.141688 181.0
[M-H]- 307.145194 176.0
[M+NH4]+ 326.186293 187.1
[M+K]+ 347.115628 174.0
[M+H-H2O]+ 291.149730 163.7
[M+HCOO]- 353.150671 188.6
[M+CH3COO]- 367.166321 182.6
[M+Na-2H]- 329.127136 176.2
[M]+ 308.15192142 171.8
[M]- 308.15301858 171.8
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