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]+ 283.007676 152.7
[M+Na]+ 304.989618 164.0
[M-H]- 280.993124 158.2
[M+NH4]+ 300.034223 169.3
[M+K]+ 320.963558 151.8
[M+H-H2O]+ 264.997660 151.5
[M+HCOO]- 326.998601 168.3
[M+CH3COO]- 341.014251 193.7
[M+Na-2H]- 302.975066 157.3
[M]+ 281.99985142 167.7
[M]- 282.00094858 167.7
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.