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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	316.169596	175.4
[M+Na]+	338.151538	179.4
[M-H]-	314.155044	180.5
[M+NH4]+	333.196143	186.8
[M+K]+	354.125478	171.8
[M+H-H2O]+	298.159580	165.7
[M+HCOO]-	360.160521	189.3
[M+CH3COO]-	374.176171	183.7
[M+Na-2H]-	336.136986	181.9
[M]+	315.16177142	168.3
[M]-	315.16286858	168.3

Literature stripe

literature stripe

Patent stripe

patents stripe