CID 3045958

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

Structural Information

Molecular Formula
C21H21N3O
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3CC4=CNC5=CC=CC=C54
InChI
InChI=1S/C21H21N3O/c1-25-14-6-7-19-17(11-14)16-8-9-22-20(21(16)24-19)10-13-12-23-18-5-3-2-4-15(13)18/h2-7,11-12,20,22-24H,8-10H2,1H3
InChIKey
NJSWWYIYIVKRGP-UHFFFAOYSA-N
Compound name
1-(1H-indol-3-ylmethyl)-6-methoxy-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

331.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17574 179.9
[M+Na]+ 354.15768 195.0
[M+NH4]+ 349.20228 188.5
[M+K]+ 370.13162 189.8
[M-H]- 330.16118 183.3
[M+Na-2H]- 352.14313 185.3
[M]+ 331.16791 183.1
[M]- 331.16901 183.1
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.