CID 48594

66942-09-4

Structural Information

Molecular Formula
C13H15BrN2O3
SMILES
CN1C(=O)C(C(=O)NC1=O)(CC(=C)Br)C2CCC=C2
InChI
InChI=1S/C13H15BrN2O3/c1-8(14)7-13(9-5-3-4-6-9)10(17)15-12(19)16(2)11(13)18/h3,5,9H,1,4,6-7H2,2H3,(H,15,17,19)
InChIKey
JHODWEUJCNIYPJ-UHFFFAOYSA-N
Compound name
5-(2-bromoprop-2-enyl)-5-cyclopent-2-en-1-yl-1-methyl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.0266 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.03388 163.5
[M+Na]+ 349.01582 174.2
[M-H]- 325.01932 168.8
[M+NH4]+ 344.06042 181.8
[M+K]+ 364.98976 162.0
[M+H-H2O]+ 309.02386 163.5
[M+HCOO]- 371.02480 177.6
[M+CH3COO]- 385.04045 200.5
[M+Na-2H]- 347.00127 164.2
[M]+ 326.02605 178.4
[M]- 326.02715 178.4
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.