CID 204392

16226-61-2

Structural Information

Molecular Formula

C₂₄H₂₅NO

SMILES

C1CC(N(C1)CC2=CC=CC=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O

InChI

InChI=1S/C24H25NO/c26-24(21-13-6-2-7-14-21,22-15-8-3-9-16-22)23-17-10-18-25(23)19-20-11-4-1-5-12-20/h1-9,11-16,23,26H,10,17-19H2

InChIKey

AZOXPIPWRDWNBA-UHFFFAOYSA-N

Compound name

(1-benzylpyrrolidin-2-yl)-diphenylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 5
Patents: 343.1936 Da
Monoisotopic Mass: 4.6
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]+	344.20088	184.0
[M+Na]+	366.18282	187.4
[M-H]-	342.18632	192.9
[M+NH4]+	361.22742	195.6
[M+K]+	382.15676	180.6
[M+H-H2O]+	326.19086	173.8
[M+HCOO]-	388.19180	201.1
[M+CH3COO]-	402.20745	192.8
[M+Na-2H]-	364.16827	186.2
[M]+	343.19305	178.9
[M]-	343.19415	178.9

Literature stripe

literature stripe

Patent stripe

patents stripe