CID 743721

132681-00-6

Structural Information

Molecular Formula
C20H23NO2
SMILES
CC1(CC2=CC(=C(C=C2C(=N1)CC3=CC=CC=C3)OC)OC)C
InChI
InChI=1S/C20H23NO2/c1-20(2)13-15-11-18(22-3)19(23-4)12-16(15)17(21-20)10-14-8-6-5-7-9-14/h5-9,11-12H,10,13H2,1-4H3
InChIKey
HRSZGKQLHQQWIK-UHFFFAOYSA-N
Compound name
1-benzyl-6,7-dimethoxy-3,3-dimethyl-4H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.17288 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.18016 175.1
[M+Na]+ 332.16210 184.0
[M-H]- 308.16560 181.6
[M+NH4]+ 327.20670 191.9
[M+K]+ 348.13604 179.6
[M+H-H2O]+ 292.17014 166.0
[M+HCOO]- 354.17108 194.8
[M+CH3COO]- 368.18673 208.7
[M+Na-2H]- 330.14755 180.2
[M]+ 309.17233 178.6
[M]- 309.17343 178.6
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.