CID 3055774

Brn 0924213

Structural Information

Molecular Formula
C6H9N4O5P
SMILES
COP(=O)(C1=NC=NC(=C1[N+](=O)[O-])N)OC
InChI
InChI=1S/C6H9N4O5P/c1-14-16(13,15-2)6-4(10(11)12)5(7)8-3-9-6/h3H,1-2H3,(H2,7,8,9)
InChIKey
BSDBYSKGESWCFF-UHFFFAOYSA-N
Compound name
6-dimethoxyphosphoryl-5-nitropyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.03105 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.03833 145.7
[M+Na]+ 271.02027 153.4
[M-H]- 247.02377 146.4
[M+NH4]+ 266.06487 159.6
[M+K]+ 286.99421 149.3
[M+H-H2O]+ 231.02831 140.8
[M+HCOO]- 293.02925 174.5
[M+CH3COO]- 307.04490 187.8
[M+Na-2H]- 269.00572 154.0
[M]+ 248.03050 147.1
[M]- 248.03160 147.1
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.