CID 56595

93203-07-7

Structural Information

Molecular Formula
C22H20ClNO2
SMILES
C1C(C2=C(C=CC(=C2)O)C(N1CC3=CC=CC=C3)C4=CC=CC=C4O)Cl
InChI
InChI=1S/C22H20ClNO2/c23-20-14-24(13-15-6-2-1-3-7-15)22(18-8-4-5-9-21(18)26)17-11-10-16(25)12-19(17)20/h1-12,20,22,25-26H,13-14H2
InChIKey
BHDTZJCCBOFHKH-UHFFFAOYSA-N
Compound name
2-benzyl-4-chloro-1-(2-hydroxyphenyl)-3,4-dihydro-1H-isoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.11826 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.12554 186.6
[M+Na]+ 388.10748 194.6
[M-H]- 364.11098 192.8
[M+NH4]+ 383.15208 198.0
[M+K]+ 404.08142 186.1
[M+H-H2O]+ 348.11552 177.2
[M+HCOO]- 410.11646 197.7
[M+CH3COO]- 424.13211 195.6
[M+Na-2H]- 386.09293 188.9
[M]+ 365.11771 185.6
[M]- 365.11881 185.6
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.