CID 76330

2985-59-3

Structural Information

Molecular Formula

C₂₅H₃₄O₃

SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C25H34O3/c1-2-3-4-5-6-7-8-9-10-14-19-28-22-17-18-23(24(26)20-22)25(27)21-15-12-11-13-16-21/h11-13,15-18,20,26H,2-10,14,19H2,1H3

InChIKey

ARVUDIQYNJVQIW-UHFFFAOYSA-N

Compound name

(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 12862
Patents: 382.2508 Da
Monoisotopic Mass: 9.0
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]+	383.25808	199.1
[M+Na]+	405.24002	201.9
[M-H]-	381.24352	202.6
[M+NH4]+	400.28462	209.8
[M+K]+	421.21396	196.3
[M+H-H2O]+	365.24806	189.6
[M+HCOO]-	427.24900	217.9
[M+CH3COO]-	441.26465	220.6
[M+Na-2H]-	403.22547	198.0
[M]+	382.25025	203.7
[M]-	382.25135	203.7

Literature stripe

literature stripe

Patent stripe

patents stripe