CID 746883

49587-52-2

Structural Information

Molecular Formula
C17H12N2O5
SMILES
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O
InChI
InChI=1S/C17H12N2O5/c1-9(20)18-11-3-5-12(6-4-11)19-15(21)13-7-2-10(17(23)24)8-14(13)16(19)22/h2-8H,1H3,(H,18,20)(H,23,24)
InChIKey
PSZQNXKRIHBZKI-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.07462 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.08190 170.4
[M+Na]+ 347.06384 178.9
[M-H]- 323.06734 176.5
[M+NH4]+ 342.10844 184.9
[M+K]+ 363.03778 175.1
[M+H-H2O]+ 307.07188 163.1
[M+HCOO]- 369.07282 190.7
[M+CH3COO]- 383.08847 209.0
[M+Na-2H]- 345.04929 171.2
[M]+ 324.07407 171.7
[M]- 324.07517 171.7
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.