CID 3024093

94232-67-4

Structural Information

Molecular Formula
C18H15NO4
SMILES
CCC(C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)C(=O)O
InChI
InChI=1S/C18H15NO4/c1-2-13(18(22)23)11-7-9-12(10-8-11)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-10,13H,2H2,1H3,(H,22,23)
InChIKey
ZQKLRJAOOUMVSA-UHFFFAOYSA-N
Compound name
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

309.1001 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.10738 170.6
[M+Na]+ 332.08932 182.9
[M+NH4]+ 327.13392 177.0
[M+K]+ 348.06326 179.2
[M-H]- 308.09282 172.4
[M+Na-2H]- 330.07477 175.2
[M]+ 309.09955 172.6
[M]- 309.10065 172.6
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