CID 213521

Brn 0836309

Structural Information

Molecular Formula
C10H16N5O4P
SMILES
CCOP(=O)(N)N(C=O)C1=NC=C(C(=N1)N2CC2)OC
InChI
InChI=1S/C10H16N5O4P/c1-3-19-20(11,17)15(7-16)10-12-6-8(18-2)9(13-10)14-4-5-14/h6-7H,3-5H2,1-2H3,(H2,11,17)
InChIKey
HRIVUYIKVBVBMR-UHFFFAOYSA-N
Compound name
N-[amino(ethoxy)phosphoryl]-N-[4-(aziridin-1-yl)-5-methoxypyrimidin-2-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.094 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.10128 168.2
[M+Na]+ 324.08322 178.1
[M+NH4]+ 319.12782 172.4
[M+K]+ 340.05716 177.0
[M-H]- 300.08672 174.6
[M+Na-2H]- 322.06867 174.5
[M]+ 301.09345 172.0
[M]- 301.09455 172.0
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.