CID 983632

2-(4-bromophenyl)-2-oxoethyl 2-[4-(acetylamino)phenyl]-1,3-dioxo-2,3-dihydro-1h-isoindole-5-carboxylate

Structural Information

Molecular Formula
C25H17BrN2O6
SMILES
CC(=O)NC1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC=C(C=C4)Br
InChI
InChI=1S/C25H17BrN2O6/c1-14(29)27-18-7-9-19(10-8-18)28-23(31)20-11-4-16(12-21(20)24(28)32)25(33)34-13-22(30)15-2-5-17(26)6-3-15/h2-12H,13H2,1H3,(H,27,29)
InChIKey
VLMFPONBDGNMIU-UHFFFAOYSA-N
Compound name
[2-(4-bromophenyl)-2-oxoethyl] 2-(4-acetamidophenyl)-1,3-dioxoisoindole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.027 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.034276 212.2
[M+Na]+ 543.016218 220.6
[M-H]- 519.019724 223.8
[M+NH4]+ 538.060823 222.4
[M+K]+ 558.990158 209.9
[M+H-H2O]+ 503.024260 208.7
[M+HCOO]- 565.025201 228.9
[M+CH3COO]- 579.040851 240.4
[M+Na-2H]- 541.001666 210.7
[M]+ 520.02645142 233.5
[M]- 520.02754858 233.5
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.