CID 25266

2-(3-(dipropylamino)propoxy)benzophenone hydriodide

Structural Information

Molecular Formula

C₂₂H₂₉NO₂

SMILES

CCCN(CCC)CCCOC1=CC=CC=C1C(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H29NO2/c1-3-15-23(16-4-2)17-10-18-25-21-14-9-8-13-20(21)22(24)19-11-6-5-7-12-19/h5-9,11-14H,3-4,10,15-18H2,1-2H3

InChIKey

PGYNRXBBCFJSJC-UHFFFAOYSA-N

Compound name

[2-[3-(dipropylamino)propoxy]phenyl]-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 339.21982 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]+	340.227096	186.7
[M+Na]+	362.209038	189.8
[M-H]-	338.212544	193.2
[M+NH4]+	357.253643	199.9
[M+K]+	378.182978	186.3
[M+H-H2O]+	322.217080	177.0
[M+HCOO]-	384.218021	209.4
[M+CH3COO]-	398.233671	219.3
[M+Na-2H]-	360.194486	187.9
[M]+	339.21927142	190.9
[M]-	339.22036858	190.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe