CID 200928

Brn 0619753

Structural Information

Molecular Formula
C9H14N5O2P
SMILES
COC1=NC(=NC=C1)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C9H14N5O2P/c1-16-8-2-3-10-9(11-8)12-17(15,13-4-5-13)14-6-7-14/h2-3H,4-7H2,1H3,(H,10,11,12,15)
InChIKey
GOTDPQNSIIWWNA-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-methoxypyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08852 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09580 187.6
[M+Na]+ 278.07774 195.1
[M-H]- 254.08124 190.9
[M+NH4]+ 273.12234 188.8
[M+K]+ 294.05168 190.7
[M+H-H2O]+ 238.08578 176.8
[M+HCOO]- 300.08672 208.9
[M+CH3COO]- 314.10237 206.3
[M+Na-2H]- 276.06319 188.0
[M]+ 255.08797 191.3
[M]- 255.08907 191.3
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.