CID 3045955

1-(5'-methoxy-3'-indolylmethyl)-6-methoxy-1,2,3,4-tetrahydro(9h)-pyrido(3,4-b)indole hcl

Structural Information

Molecular Formula
C22H23N3O2
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CNC5=C4C=C(C=C5)OC
InChI
InChI=1S/C22H23N3O2/c1-26-14-3-5-19-17(10-14)13(12-24-19)9-21-22-16(7-8-23-21)18-11-15(27-2)4-6-20(18)25-22/h3-6,10-12,21,23-25H,7-9H2,1-2H3
InChIKey
HLTWGYVARPVOAN-UHFFFAOYSA-N
Compound name
6-methoxy-1-[(5-methoxy-1H-indol-3-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.17902 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.186296 185.7
[M+Na]+ 384.168238 195.3
[M-H]- 360.171744 188.6
[M+NH4]+ 379.212843 199.2
[M+K]+ 400.142178 186.6
[M+H-H2O]+ 344.176280 177.1
[M+HCOO]- 406.177221 199.9
[M+CH3COO]- 420.192871 194.8
[M+Na-2H]- 382.153686 187.2
[M]+ 361.17847142 186.5
[M]- 361.17956858 186.5
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.