CID 4119567

406709-91-9

Structural Information

Molecular Formula
C15H9N3O6
SMILES
C1=CC=C(C(=C1)NN2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C15H9N3O6/c19-13-9-6-5-8(15(21)22)7-10(9)14(20)17(13)16-11-3-1-2-4-12(11)18(23)24/h1-7,16H,(H,21,22)
InChIKey
BERGPOPIKKDXPO-UHFFFAOYSA-N
Compound name
2-(2-nitroanilino)-1,3-dioxoisoindole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.04913 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.05641 167.0
[M+Na]+ 350.03835 173.9
[M-H]- 326.04185 173.0
[M+NH4]+ 345.08295 180.0
[M+K]+ 366.01229 166.4
[M+H-H2O]+ 310.04639 163.7
[M+HCOO]- 372.04733 189.3
[M+CH3COO]- 386.06298 202.0
[M+Na-2H]- 348.02380 172.3
[M]+ 327.04858 165.8
[M]- 327.04968 165.8
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.