CID 91951

Oxydipropylene disalicylate

Structural Information

Molecular Formula

C₂₀H₂₂O₇

SMILES

CC(COCC(C)OC(=O)C1=CC=CC=C1O)OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C20H22O7/c1-13(26-19(23)15-7-3-5-9-17(15)21)11-25-12-14(2)27-20(24)16-8-4-6-10-18(16)22/h3-10,13-14,21-22H,11-12H2,1-2H3

InChIKey

HSUZMJLDSUYWEM-UHFFFAOYSA-N

Compound name

1-[2-(2-hydroxybenzoyl)oxypropoxy]propan-2-yl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 374.13657 Da
Monoisotopic Mass: 4.0
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]+	375.143846	186.2
[M+Na]+	397.125788	189.7
[M-H]-	373.129294	189.7
[M+NH4]+	392.170393	196.0
[M+K]+	413.099728	188.6
[M+H-H2O]+	357.133830	177.7
[M+HCOO]-	419.134771	203.2
[M+CH3COO]-	433.150421	212.8
[M+Na-2H]-	395.111236	184.4
[M]+	374.13602142	190.4
[M]-	374.13711858	190.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.