CID 117076

2-propen-1-one, 1,3-bis(4-(pentyloxy)phenyl)-

Structural Information

Molecular Formula

C₂₅H₃₂O₃

SMILES

CCCCCOC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OCCCCC

InChI

InChI=1S/C25H32O3/c1-3-5-7-19-27-23-14-9-21(10-15-23)11-18-25(26)22-12-16-24(17-13-22)28-20-8-6-4-2/h9-18H,3-8,19-20H2,1-2H3

InChIKey

PADUGTPNVYTAOQ-UHFFFAOYSA-N

Compound name

1,3-bis(4-pentoxyphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 380.23514 Da
Monoisotopic Mass: 7.2
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]+	381.242416	198.0
[M+Na]+	403.224358	201.7
[M-H]-	379.227864	203.0
[M+NH4]+	398.268963	209.5
[M+K]+	419.198298	196.3
[M+H-H2O]+	363.232400	188.3
[M+HCOO]-	425.233341	218.5
[M+CH3COO]-	439.248991	221.7
[M+Na-2H]-	401.209806	197.3
[M]+	380.23459142	203.7
[M]-	380.23568858	203.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe