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 180.9
[M+Na]+ 357.15734 188.4
[M-H]- 333.16084 184.1
[M+NH4]+ 352.20194 194.3
[M+K]+ 373.13128 181.0
[M+H-H2O]+ 317.16538 172.0
[M+HCOO]- 379.16632 195.4
[M+CH3COO]- 393.18197 190.0
[M+Na-2H]- 355.14279 182.4
[M]+ 334.16757 179.6
[M]- 334.16867 179.6
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.