CID 85622

Phenyl 3,5-diisopropylsalicylate

Structural Information

Molecular Formula

C₁₉H₂₂O₃

SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)OC2=CC=CC=C2)O)C(C)C

InChI

InChI=1S/C19H22O3/c1-12(2)14-10-16(13(3)4)18(20)17(11-14)19(21)22-15-8-6-5-7-9-15/h5-13,20H,1-4H3

InChIKey

YYEAGXUACASJES-UHFFFAOYSA-N

Compound name

phenyl 2-hydroxy-3,5-di(propan-2-yl)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 298.1569 Da
Monoisotopic Mass: 5.8
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]+	299.164176	170.7
[M+Na]+	321.146118	176.8
[M-H]-	297.149624	176.2
[M+NH4]+	316.190723	185.3
[M+K]+	337.120058	173.8
[M+H-H2O]+	281.154160	163.3
[M+HCOO]-	343.155101	189.7
[M+CH3COO]-	357.170751	205.3
[M+Na-2H]-	319.131566	169.9
[M]+	298.15635142	172.5
[M]-	298.15744858	172.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe