CID 203383

6-acetyl-1-(3,4-dimethoxybenzyl)-1,2,3,4-tetrahydro-beta-carboline hydrochloride

Structural Information

Molecular Formula
C22H24N2O3
SMILES
CC(=O)C1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC(=C(C=C4)OC)OC
InChI
InChI=1S/C22H24N2O3/c1-13(25)15-5-6-18-17(12-15)16-8-9-23-19(22(16)24-18)10-14-4-7-20(26-2)21(11-14)27-3/h4-7,11-12,19,23-24H,8-10H2,1-3H3
InChIKey
CNGBUHROTWENSL-UHFFFAOYSA-N
Compound name
1-[1-[(3,4-dimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.17868 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.18596 189.2
[M+Na]+ 387.16790 203.0
[M+NH4]+ 382.21250 196.2
[M+K]+ 403.14184 197.2
[M-H]- 363.17140 192.0
[M+Na-2H]- 385.15335 193.6
[M]+ 364.17813 191.9
[M]- 364.17923 191.9
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.