CID 48593

66942-08-3

Structural Information

Molecular Formula
C12H13BrN2O3
SMILES
C=C(CC1(C(=O)NC(=O)NC1=O)C2CCC=C2)Br
InChI
InChI=1S/C12H13BrN2O3/c1-7(13)6-12(8-4-2-3-5-8)9(16)14-11(18)15-10(12)17/h2,4,8H,1,3,5-6H2,(H2,14,15,16,17,18)
InChIKey
RHOHXKFFYZVGKS-UHFFFAOYSA-N
Compound name
5-(2-bromoprop-2-enyl)-5-cyclopent-2-en-1-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.01096 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.01824 161.4
[M+Na]+ 335.00018 171.1
[M-H]- 311.00368 165.2
[M+NH4]+ 330.04478 179.2
[M+K]+ 350.97412 158.3
[M+H-H2O]+ 295.00822 161.4
[M+HCOO]- 357.00916 174.3
[M+CH3COO]- 371.02481 194.3
[M+Na-2H]- 332.98563 162.6
[M]+ 312.01041 173.8
[M]- 312.01151 173.8
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.