CID 120435

Brn 0618486

Structural Information

Molecular Formula
C8H11ClN5OP
SMILES
C1CN1P(=O)(NC2=NC=C(C=N2)Cl)N3CC3
InChI
InChI=1S/C8H11ClN5OP/c9-7-5-10-8(11-6-7)12-16(15,13-1-2-13)14-3-4-14/h5-6H,1-4H2,(H,10,11,12,15)
InChIKey
GAGAPGPDTJRRNE-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-5-chloropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.03897 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04625 139.7
[M+Na]+ 282.02819 152.7
[M+NH4]+ 277.07279 146.4
[M+K]+ 298.00213 151.6
[M-H]- 258.03169 152.8
[M+Na-2H]- 280.01364 151.6
[M]+ 259.03842 147.2
[M]- 259.03952 147.2
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.