CID 3024626

96719-66-3

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]+ 332.164506 180.2
[M+Na]+ 354.146448 186.9
[M-H]- 330.149954 187.6
[M+NH4]+ 349.191053 192.4
[M+K]+ 370.120388 180.4
[M+H-H2O]+ 314.154490 169.6
[M+HCOO]- 376.155431 197.3
[M+CH3COO]- 390.171081 189.9
[M+Na-2H]- 352.131896 184.0
[M]+ 331.15668142 177.9
[M]- 331.15777858 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.