CID 29856

N-benzyl salsolidine

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

2
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

patents stripe