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]+ 521.03428 212.2
[M+Na]+ 543.01622 220.6
[M-H]- 519.01972 223.8
[M+NH4]+ 538.06082 222.4
[M+K]+ 558.99016 209.9
[M+H-H2O]+ 503.02426 208.7
[M+HCOO]- 565.02520 228.9
[M+CH3COO]- 579.04085 240.4
[M+Na-2H]- 541.00167 210.7
[M]+ 520.02645 233.5
[M]- 520.02755 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.