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 188.8
[M+Na]+ 387.16790 196.5
[M-H]- 363.17140 192.2
[M+NH4]+ 382.21250 201.1
[M+K]+ 403.14184 189.7
[M+H-H2O]+ 347.17594 179.8
[M+HCOO]- 409.17688 203.1
[M+CH3COO]- 423.19253 197.6
[M+Na-2H]- 385.15335 189.2
[M]+ 364.17813 189.6
[M]- 364.17923 189.6
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.