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 175.5
[M+Na]+ 324.08322 184.1
[M-H]- 300.08672 179.0
[M+NH4]+ 319.12782 182.2
[M+K]+ 340.05716 181.1
[M+H-H2O]+ 284.09126 164.2
[M+HCOO]- 346.09220 202.3
[M+CH3COO]- 360.10785 212.2
[M+Na-2H]- 322.06867 177.7
[M]+ 301.09345 182.2
[M]- 301.09455 182.2
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.