CID 79777830

1500958-16-6

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
CC1=C(C=C(C=C1)Br)N2CCC(=O)NC2=O
InChI
InChI=1S/C11H11BrN2O2/c1-7-2-3-8(12)6-9(7)14-5-4-10(15)13-11(14)16/h2-3,6H,4-5H2,1H3,(H,13,15,16)
InChIKey
MRUNQNLOXNMCKM-UHFFFAOYSA-N
Compound name
1-(5-bromo-2-methylphenyl)-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0004 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00768 154.7
[M+Na]+ 304.98962 158.4
[M+NH4]+ 300.03422 158.3
[M+K]+ 320.96356 158.4
[M-H]- 280.99312 155.2
[M+Na-2H]- 302.97507 157.5
[M]+ 281.99985 154.0
[M]- 282.00095 154.0
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.