CID 3052967

6-acetyl-1-methoxybenzyl-1,2,3,4-tetrahydro-beta-carboline hydrochloride

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC(=O)C1=CC2=C(C=C1)NC3=C2CCNC3CC4=CC=C(C=C4)OC
InChI
InChI=1S/C21H22N2O2/c1-13(24)15-5-8-19-18(12-15)17-9-10-22-20(21(17)23-19)11-14-3-6-16(25-2)7-4-14/h3-8,12,20,22-23H,9-11H2,1-2H3
InChIKey
CMQVUMLENPJCIZ-UHFFFAOYSA-N
Compound name
1-[1-[(4-methoxyphenyl)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

334.16812 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 181.4
[M+Na]+ 357.15734 195.6
[M+NH4]+ 352.20194 189.2
[M+K]+ 373.13128 189.3
[M-H]- 333.16084 184.7
[M+Na-2H]- 355.14279 186.8
[M]+ 334.16757 184.3
[M]- 334.16867 184.3
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.