CID 154876327

2470438-79-8

Structural Information

Molecular Formula
C7H7BrN2O3
SMILES
C1COCC2=C(C(=O)NC(=O)N21)Br
InChI
InChI=1S/C7H7BrN2O3/c8-5-4-3-13-2-1-10(4)7(12)9-6(5)11/h1-3H2,(H,9,11,12)
InChIKey
VOKPQSCMXOHHLQ-UHFFFAOYSA-N
Compound name
9-bromo-3,4-dihydro-1H-pyrimido[6,1-c][1,4]oxazine-6,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.964 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.97128 138.5
[M+Na]+ 268.95322 151.6
[M-H]- 244.95672 142.8
[M+NH4]+ 263.99782 156.4
[M+K]+ 284.92716 141.4
[M+H-H2O]+ 228.96126 138.1
[M+HCOO]- 290.96220 154.5
[M+CH3COO]- 304.97785 184.9
[M+Na-2H]- 266.93867 148.0
[M]+ 245.96345 156.3
[M]- 245.96455 156.3
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.