CID 3022148

N-diacetylamino-3-bromophenylsuccinimide

Structural Information

Molecular Formula
C14H13BrN2O4
SMILES
CC(=O)N(C(=O)C)N1C(=O)CC(C1=O)C2=CC(=CC=C2)Br
InChI
InChI=1S/C14H13BrN2O4/c1-8(18)16(9(2)19)17-13(20)7-12(14(17)21)10-4-3-5-11(15)6-10/h3-6,12H,7H2,1-2H3
InChIKey
GVDTXOZLKUVODO-UHFFFAOYSA-N
Compound name
N-acetyl-N-[3-(3-bromophenyl)-2,5-dioxopyrrolidin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.00586 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.01314 168.8
[M+Na]+ 374.99508 179.2
[M-H]- 350.99858 178.3
[M+NH4]+ 370.03968 186.3
[M+K]+ 390.96902 169.3
[M+H-H2O]+ 335.00312 167.1
[M+HCOO]- 397.00406 188.3
[M+CH3COO]- 411.01971 212.2
[M+Na-2H]- 372.98053 168.6
[M]+ 352.00531 188.3
[M]- 352.00641 188.3
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.