CID 11659770

69160-56-1

Structural Information

Molecular Formula
C19H15NO4
SMILES
C1C(C1(C2=CC=CC=C2)C(=O)O)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C19H15NO4/c21-16-14-8-4-5-9-15(14)17(22)20(16)11-13-10-19(13,18(23)24)12-6-2-1-3-7-12/h1-9,13H,10-11H2,(H,23,24)
InChIKey
XWJCCJTWOLBUSW-UHFFFAOYSA-N
Compound name
2-[(1,3-dioxoisoindol-2-yl)methyl]-1-phenylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

321.1001 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.10738 173.6
[M+Na]+ 344.08932 184.2
[M-H]- 320.09282 182.7
[M+NH4]+ 339.13392 185.6
[M+K]+ 360.06326 178.6
[M+H-H2O]+ 304.09736 167.0
[M+HCOO]- 366.09830 192.7
[M+CH3COO]- 380.11395 184.8
[M+Na-2H]- 342.07477 175.5
[M]+ 321.09955 177.3
[M]- 321.10065 177.3
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

patents stripe