CID 3024626

4-(1,2,3,4-tetrahydro-6-methoxy-2-phenyl-1-isoquinolinyl)phenol hydrochloride

Structural Information

Molecular Formula
C22H21NO2
SMILES
COC1=CC2=C(C=C1)C(N(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)O
InChI
InChI=1S/C22H21NO2/c1-25-20-11-12-21-17(15-20)13-14-23(18-5-3-2-4-6-18)22(21)16-7-9-19(24)10-8-16/h2-12,15,22,24H,13-14H2,1H3
InChIKey
ADCYNTGYMHUSED-UHFFFAOYSA-N
Compound name
4-(6-methoxy-2-phenyl-3,4-dihydro-1H-isoquinolin-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.15723 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16451 180.2
[M+Na]+ 354.14645 186.9
[M-H]- 330.14995 187.6
[M+NH4]+ 349.19105 192.4
[M+K]+ 370.12039 180.4
[M+H-H2O]+ 314.15449 169.6
[M+HCOO]- 376.15543 197.3
[M+CH3COO]- 390.17108 189.9
[M+Na-2H]- 352.13190 184.0
[M]+ 331.15668 177.9
[M]- 331.15778 177.9
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.