CID 29856

Benzylsalsolidine

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1C2=CC(=C(C=C2CCN1CC3=CC=CC=C3)OC)OC
InChI
InChI=1S/C19H23NO2/c1-14-17-12-19(22-3)18(21-2)11-16(17)9-10-20(14)13-15-7-5-4-6-8-15/h4-8,11-12,14H,9-10,13H2,1-3H3
InChIKey
QMFRUXSSVRREFN-UHFFFAOYSA-N
Compound name
2-benzyl-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.17288 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 171.9
[M+Na]+ 320.16210 179.1
[M-H]- 296.16560 177.7
[M+NH4]+ 315.20670 187.0
[M+K]+ 336.13604 174.8
[M+H-H2O]+ 280.17014 162.6
[M+HCOO]- 342.17108 190.4
[M+CH3COO]- 356.18673 206.6
[M+Na-2H]- 318.14755 175.4
[M]+ 297.17233 173.3
[M]- 297.17343 173.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.