CID 202993

6-methoxy-3-methyl-1-phenyl-1,2,3,4-tetrahydro-beta-carboline hydrochloride

Structural Information

Molecular Formula
C19H20N2O
SMILES
CC1CC2=C(C(N1)C3=CC=CC=C3)NC4=C2C=C(C=C4)OC
InChI
InChI=1S/C19H20N2O/c1-12-10-16-15-11-14(22-2)8-9-17(15)21-19(16)18(20-12)13-6-4-3-5-7-13/h3-9,11-12,18,20-21H,10H2,1-2H3
InChIKey
YCTNAXKPRXVXJF-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-1-phenyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.15756 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 169.5
[M+Na]+ 315.14678 178.4
[M-H]- 291.15028 173.0
[M+NH4]+ 310.19138 185.0
[M+K]+ 331.12072 170.6
[M+H-H2O]+ 275.15482 160.9
[M+HCOO]- 337.15576 185.5
[M+CH3COO]- 351.17141 179.9
[M+Na-2H]- 313.13223 173.1
[M]+ 292.15701 167.5
[M]- 292.15811 167.5
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.