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

1
Patents

331.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.175736 177.2
[M+Na]+ 354.157678 186.7
[M-H]- 330.161184 179.9
[M+NH4]+ 349.202283 191.8
[M+K]+ 370.131618 177.4
[M+H-H2O]+ 314.165720 168.7
[M+HCOO]- 376.166661 191.8
[M+CH3COO]- 390.182311 186.7
[M+Na-2H]- 352.143126 179.9
[M]+ 331.16791142 176.0
[M]- 331.16900858 176.0
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.