CID 11141600

140408-82-8

Structural Information

Molecular Formula
C22H21NO
SMILES
C1[C@H](NCC2=CC=CC=C21)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C22H21NO/c24-22(19-11-3-1-4-12-19,20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-23-21/h1-14,21,23-24H,15-16H2/t21-/m0/s1
InChIKey
RHDBEHVNWCDLDP-NRFANRHFSA-N
Compound name
diphenyl-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

315.16232 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.16960 175.4
[M+Na]+ 338.15154 179.4
[M-H]- 314.15504 180.5
[M+NH4]+ 333.19614 186.8
[M+K]+ 354.12548 171.8
[M+H-H2O]+ 298.15958 165.7
[M+HCOO]- 360.16052 189.3
[M+CH3COO]- 374.17617 183.7
[M+Na-2H]- 336.13699 181.9
[M]+ 315.16177 168.3
[M]- 315.16287 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe