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]+ 340.11798 177.0
[M+Na]+ 362.09992 184.9
[M-H]- 338.10342 183.7
[M+NH4]+ 357.14452 191.8
[M+K]+ 378.07386 181.9
[M+H-H2O]+ 322.10796 169.0
[M+HCOO]- 384.10890 197.0
[M+CH3COO]- 398.12455 211.3
[M+Na-2H]- 360.08537 177.1
[M]+ 339.11015 181.7
[M]- 339.11125 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.