CID 205212

17606-15-4

Structural Information

Molecular Formula
C20H25NO3
SMILES
CC1CC2=C(C=CC(=C2)OC)C(N1C)C(C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C20H25NO3/c1-13-10-15-12-17(24-4)8-9-18(15)19(21(13)2)20(22)14-6-5-7-16(11-14)23-3/h5-9,11-13,19-20,22H,10H2,1-4H3
InChIKey
BEABCCNKFCSURA-UHFFFAOYSA-N
Compound name
(6-methoxy-2,3-dimethyl-3,4-dihydro-1H-isoquinolin-1-yl)-(3-methoxyphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.18344 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 179.6
[M+Na]+ 350.17266 186.4
[M-H]- 326.17616 184.4
[M+NH4]+ 345.21726 192.9
[M+K]+ 366.14660 182.4
[M+H-H2O]+ 310.18070 170.8
[M+HCOO]- 372.18164 195.4
[M+CH3COO]- 386.19729 211.4
[M+Na-2H]- 348.15811 180.4
[M]+ 327.18289 180.9
[M]- 327.18399 180.9
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.