CID 47645

65492-84-4

Structural Information

Molecular Formula
C18H21NO2
SMILES
CC1C2=CC(=C(C=C2CCN1C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C18H21NO2/c1-13-16-12-18(21-3)17(20-2)11-14(16)9-10-19(13)15-7-5-4-6-8-15/h4-8,11-13H,9-10H2,1-3H3
InChIKey
LRJDHHZOZBJLMX-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-methyl-2-phenyl-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.15723 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16451 167.2
[M+Na]+ 306.14645 182.9
[M+NH4]+ 301.19105 176.5
[M+K]+ 322.12039 174.0
[M-H]- 282.14995 172.5
[M+Na-2H]- 304.13190 175.3
[M]+ 283.15668 171.1
[M]- 283.15778 171.1
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.