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

0
Patents

298.1569 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 170.7
[M+Na]+ 321.14612 176.8
[M-H]- 297.14962 176.2
[M+NH4]+ 316.19072 185.3
[M+K]+ 337.12006 173.8
[M+H-H2O]+ 281.15416 163.3
[M+HCOO]- 343.15510 189.7
[M+CH3COO]- 357.17075 205.3
[M+Na-2H]- 319.13157 169.9
[M]+ 298.15635 172.5
[M]- 298.15745 172.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.