CID 200785

Brn 0820086

Structural Information

Molecular Formula
C9H13ClN5O2P
SMILES
COC1=NC(=CC(=N1)Cl)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C9H13ClN5O2P/c1-17-9-11-7(10)6-8(12-9)13-18(16,14-2-3-14)15-4-5-15/h6H,2-5H2,1H3,(H,11,12,13,16)
InChIKey
KVRWFRAREKNJPE-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-6-chloro-2-methoxypyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.04953 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.05681 145.3
[M+Na]+ 312.03875 158.0
[M+NH4]+ 307.08335 151.5
[M+K]+ 328.01269 157.3
[M-H]- 288.04225 158.1
[M+Na-2H]- 310.02420 156.4
[M]+ 289.04898 152.6
[M]- 289.05008 152.6
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.