CID 135415735

Nsc604979

Structural Information

Molecular Formula
C10H7BrN4O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC(=N2)N)Br
InChI
InChI=1S/C10H7BrN4O3/c11-7-8(13-10(12)14-9(7)16)5-2-1-3-6(4-5)15(17)18/h1-4H,(H3,12,13,14,16)
InChIKey
FTRWXOPDEGKEOI-UHFFFAOYSA-N
Compound name
2-amino-5-bromo-4-(3-nitrophenyl)-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

309.97015 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.97743 154.5
[M+Na]+ 332.95937 165.8
[M-H]- 308.96287 160.4
[M+NH4]+ 328.00397 168.5
[M+K]+ 348.93331 148.9
[M+H-H2O]+ 292.96741 155.9
[M+HCOO]- 354.96835 175.2
[M+CH3COO]- 368.98400 193.9
[M+Na-2H]- 330.94482 163.2
[M]+ 309.96960 169.9
[M]- 309.97070 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.