CID 199786

Brn 0857589

Structural Information

Molecular Formula
C23H15ClN2O4
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O
InChI
InChI=1S/C23H15ClN2O4/c24-15-10-11-19(18(12-15)21(28)14-6-2-1-3-7-14)25-20(27)13-26-22(29)16-8-4-5-9-17(16)23(26)30/h1-12H,13H2,(H,25,27)
InChIKey
SZZBOLKXOKEKAN-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

418.07202 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.07930 197.4
[M+Na]+ 441.06124 205.8
[M-H]- 417.06474 207.2
[M+NH4]+ 436.10584 209.0
[M+K]+ 457.03518 199.0
[M+H-H2O]+ 401.06928 188.3
[M+HCOO]- 463.07022 213.5
[M+CH3COO]- 477.08587 226.4
[M+Na-2H]- 439.04669 196.8
[M]+ 418.07147 200.9
[M]- 418.07257 200.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe