CID 752768

(3z)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one

Structural Information

Molecular Formula
C12H11BrN2O2
SMILES
C1CNC(=O)/C(=C/C(=O)C2=CC=C(C=C2)Br)/N1
InChI
InChI=1S/C12H11BrN2O2/c13-9-3-1-8(2-4-9)11(16)7-10-12(17)15-6-5-14-10/h1-4,7,14H,5-6H2,(H,15,17)/b10-7-
InChIKey
ZIEULCWGCAWXEX-YFHOEESVSA-N
Compound name
(3Z)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

294.0004 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00768 157.9
[M+Na]+ 316.98962 160.0
[M+NH4]+ 312.03422 160.7
[M+K]+ 332.96356 160.4
[M-H]- 292.99312 157.4
[M+Na-2H]- 314.97507 159.9
[M]+ 293.99985 156.5
[M]- 294.00095 156.5
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

No patent data available for this compound.