CID 2733810

127986-84-9

Structural Information

Molecular Formula

SMILES

C1C[C@H](NC1)C(C2=CC3=CC=CC=C3C=C2)(C4=CC5=CC=CC=C5C=C4)O

InChI

InChI=1S/C25H23NO/c27-25(24-10-5-15-26-24,22-13-11-18-6-1-3-8-20(18)16-22)23-14-12-19-7-2-4-9-21(19)17-23/h1-4,6-9,11-14,16-17,24,26-27H,5,10,15H2/t24-/m0/s1

InChIKey

LNUDNNFEXRHHGY-DEOSSOPVSA-N

Compound name

dinaphthalen-2-yl-[(2S)-pyrrolidin-2-yl]methanol

Related CIDs

2D Structure

1
Annotation Hits: 2
References: 23
Patents: 353.17798 Da
Monoisotopic Mass: 5.2
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]+	354.18526	184.9
[M+Na]+	376.16720	190.7
[M-H]-	352.17070	191.8
[M+NH4]+	371.21180	197.9
[M+K]+	392.14114	182.1
[M+H-H2O]+	336.17524	175.6
[M+HCOO]-	398.17618	199.6
[M+CH3COO]-	412.19183	193.6
[M+Na-2H]-	374.15265	189.8
[M]+	353.17743	180.3
[M]-	353.17853	180.3

Literature stripe

Patent stripe