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]+ 362.18630 188.2
[M+Na]+ 384.16824 202.9
[M+NH4]+ 379.21284 196.0
[M+K]+ 400.14218 198.2
[M-H]- 360.17174 191.2
[M+Na-2H]- 382.15369 192.6
[M]+ 361.17847 191.2
[M]- 361.17957 191.2
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.