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]+ 284.164506 167.2
[M+Na]+ 306.146448 174.9
[M-H]- 282.149954 173.3
[M+NH4]+ 301.191053 183.0
[M+K]+ 322.120388 170.8
[M+H-H2O]+ 266.154490 158.2
[M+HCOO]- 328.155431 186.1
[M+CH3COO]- 342.171081 203.6
[M+Na-2H]- 304.131896 171.3
[M]+ 283.15668142 168.3
[M]- 283.15777858 168.3
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

No patent data available for this compound.