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 185.7
[M+Na]+ 384.16824 195.3
[M-H]- 360.17174 188.6
[M+NH4]+ 379.21284 199.2
[M+K]+ 400.14218 186.6
[M+H-H2O]+ 344.17628 177.1
[M+HCOO]- 406.17722 199.9
[M+CH3COO]- 420.19287 194.8
[M+Na-2H]- 382.15369 187.2
[M]+ 361.17847 186.5
[M]- 361.17957 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.