CID 118433

33311-76-1

Structural Information

Molecular Formula
C23H15N3O6
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H15N3O6/c27-20(13-25-22(29)16-8-4-5-9-17(16)23(25)30)24-19-11-10-15(26(31)32)12-18(19)21(28)14-6-2-1-3-7-14/h1-12H,13H2,(H,24,27)
InChIKey
LOSQQICCFSLPSF-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-nitrophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

429.0961 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.10338 197.7
[M+Na]+ 452.08532 202.0
[M-H]- 428.08882 207.2
[M+NH4]+ 447.12992 206.2
[M+K]+ 468.05926 193.6
[M+H-H2O]+ 412.09336 191.9
[M+HCOO]- 474.09430 218.8
[M+CH3COO]- 488.10995 223.8
[M+Na-2H]- 450.07077 200.3
[M]+ 429.09555 196.7
[M]- 429.09665 196.7
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

patents stripe