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]+ 328.190716 179.6
[M+Na]+ 350.172658 186.4
[M-H]- 326.176164 184.4
[M+NH4]+ 345.217263 192.9
[M+K]+ 366.146598 182.4
[M+H-H2O]+ 310.180700 170.8
[M+HCOO]- 372.181641 195.4
[M+CH3COO]- 386.197291 211.4
[M+Na-2H]- 348.158106 180.4
[M]+ 327.18289142 180.9
[M]- 327.18398858 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.