CID 3050418

Prenoverine

Structural Information

Molecular Formula

C₂₅H₂₉NO₂

SMILES

CC(COC1=CC=CC=C1)N(C)CCOC(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H29NO2/c1-21(20-28-24-16-10-5-11-17-24)26(2)18-19-27-25(22-12-6-3-7-13-22)23-14-8-4-9-15-23/h3-17,21,25H,18-20H2,1-2H3

InChIKey

NHXOILLCRMVISV-UHFFFAOYSA-N

Compound name

N-(2-benzhydryloxyethyl)-N-methyl-1-phenoxypropan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 34
Patents: 375.21982 Da
Monoisotopic Mass: 5.4
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]+	376.227096	195.3
[M+Na]+	398.209038	196.5
[M-H]-	374.212544	204.3
[M+NH4]+	393.253643	205.9
[M+K]+	414.182978	193.0
[M+H-H2O]+	358.217080	184.1
[M+HCOO]-	420.218021	216.8
[M+CH3COO]-	434.233671	224.5
[M+Na-2H]-	396.194486	196.9
[M]+	375.21927142	197.2
[M]-	375.22036858	197.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe