CID 3070961

87203-94-9

Structural Information

Molecular Formula
C19H23NO2
SMILES
CC1C2=CC(=C(C=C2CC(N1)C3=CC=C(C=C3)C)OC)OC
InChI
InChI=1S/C19H23NO2/c1-12-5-7-14(8-6-12)17-9-15-10-18(21-3)19(22-4)11-16(15)13(2)20-17/h5-8,10-11,13,17,20H,9H2,1-4H3
InChIKey
WAHHAZNKVHKYSM-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-3-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinoline
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 172.2
[M+Na]+ 320.16210 180.0
[M-H]- 296.16560 177.1
[M+NH4]+ 315.20670 187.0
[M+K]+ 336.13604 174.8
[M+H-H2O]+ 280.17014 163.6
[M+HCOO]- 342.17108 189.2
[M+CH3COO]- 356.18673 205.4
[M+Na-2H]- 318.14755 174.6
[M]+ 297.17233 172.3
[M]- 297.17343 172.3
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

patents stripe