CID 132896790

900634-67-5

Structural Information

Molecular Formula
C19H17NO5
SMILES
CC(C)C1=CC=C(C=C1)OCC(=O)ON2C(=O)C3=CC=CC=C3C2=O
InChI
InChI=1S/C19H17NO5/c1-12(2)13-7-9-14(10-8-13)24-11-17(21)25-20-18(22)15-5-3-4-6-16(15)19(20)23/h3-10,12H,11H2,1-2H3
InChIKey
SSZXERHYLGWGLU-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl) 2-(4-propan-2-ylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1107 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.117976 177.0
[M+Na]+ 362.099918 184.9
[M-H]- 338.103424 183.7
[M+NH4]+ 357.144523 191.8
[M+K]+ 378.073858 181.9
[M+H-H2O]+ 322.107960 169.0
[M+HCOO]- 384.108901 197.0
[M+CH3COO]- 398.124551 211.3
[M+Na-2H]- 360.085366 177.1
[M]+ 339.11015142 181.7
[M]- 339.11124858 181.7
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.