CID 120376

Brn 0618485

Structural Information

Molecular Formula
C8H11ClN5OP
SMILES
C1CN1P(=O)(NC2=NC=CC(=N2)Cl)N3CC3
InChI
InChI=1S/C8H11ClN5OP/c9-7-1-2-10-8(11-7)12-16(15,13-3-4-13)14-5-6-14/h1-2H,3-6H2,(H,10,11,12,15)
InChIKey
WRWVVRJOAILLNB-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-chloropyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.03897 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.04625 180.4
[M+Na]+ 282.02819 188.4
[M-H]- 258.03169 183.3
[M+NH4]+ 277.07279 182.1
[M+K]+ 298.00213 183.1
[M+H-H2O]+ 242.03623 169.7
[M+HCOO]- 304.03717 197.9
[M+CH3COO]- 318.05282 205.2
[M+Na-2H]- 280.01364 181.1
[M]+ 259.03842 183.9
[M]- 259.03952 183.9
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.