CID 3045962

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

Structural Information

Molecular Formula
C21H21N3O
SMILES
COC1=CC2=C(C=C1)NC=C2CC3C4=C(CCN3)C5=CC=CC=C5N4
InChI
InChI=1S/C21H21N3O/c1-25-14-6-7-18-17(11-14)13(12-23-18)10-20-21-16(8-9-22-20)15-4-2-3-5-19(15)24-21/h2-7,11-12,20,22-24H,8-10H2,1H3
InChIKey
YVXOEPBLZGBBKG-UHFFFAOYSA-N
Compound name
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

331.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17574 177.2
[M+Na]+ 354.15768 186.7
[M-H]- 330.16118 179.9
[M+NH4]+ 349.20228 191.8
[M+K]+ 370.13162 177.4
[M+H-H2O]+ 314.16572 168.7
[M+HCOO]- 376.16666 191.8
[M+CH3COO]- 390.18231 186.7
[M+Na-2H]- 352.14313 179.9
[M]+ 331.16791 176.0
[M]- 331.16901 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.