CID 73312226

1-((4-bromophenyl)methyl)-1,3-diazinane-2,4-dione

Structural Information

Molecular Formula
C11H11BrN2O2
SMILES
C1CN(C(=O)NC1=O)CC2=CC=C(C=C2)Br
InChI
InChI=1S/C11H11BrN2O2/c12-9-3-1-8(2-4-9)7-14-6-5-10(15)13-11(14)16/h1-4H,5-7H2,(H,13,15,16)
InChIKey
UUSBTQPCCNKUKQ-UHFFFAOYSA-N
Compound name
1-[(4-bromophenyl)methyl]-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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.00768 152.9
[M+Na]+ 304.98962 163.4
[M-H]- 280.99312 158.0
[M+NH4]+ 300.03422 169.2
[M+K]+ 320.96356 151.1
[M+H-H2O]+ 264.99766 151.5
[M+HCOO]- 326.99860 168.5
[M+CH3COO]- 341.01425 192.6
[M+Na-2H]- 302.97507 158.2
[M]+ 281.99985 167.5
[M]- 282.00095 167.5
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

patents stripe