CID 213607

1-(4-methoxybenzyl)dihydroharman hydrochloride

Structural Information

Molecular Formula
C19H18N2O
SMILES
COC1=CC=C(C=C1)CC2=NCCC3=C2NC4=CC=CC=C34
InChI
InChI=1S/C19H18N2O/c1-22-14-8-6-13(7-9-14)12-18-19-16(10-11-20-18)15-4-2-3-5-17(15)21-19/h2-9,21H,10-12H2,1H3
InChIKey
AFNTVLLYRWQJDL-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1419 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 168.7
[M+Na]+ 313.13112 185.3
[M+NH4]+ 308.17572 178.2
[M+K]+ 329.10506 177.4
[M-H]- 289.13462 173.6
[M+Na-2H]- 311.11657 177.2
[M]+ 290.14135 172.7
[M]- 290.14245 172.7
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.