CID 201092

3223-15-2

Structural Information

Molecular Formula
C9H13ClN5O2P
SMILES
COC1=CC(=NC(=N1)NP(=O)(N2CC2)N3CC3)Cl
InChI
InChI=1S/C9H13ClN5O2P/c1-17-8-6-7(10)11-9(12-8)13-18(16,14-2-3-14)15-4-5-15/h6H,2-5H2,1H3,(H,11,12,13,16)
InChIKey
DPDJHCXUDIKSPF-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-chloro-6-methoxypyrimidin-2-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 187.4
[M+Na]+ 312.03875 195.6
[M-H]- 288.04225 190.5
[M+NH4]+ 307.08335 188.2
[M+K]+ 328.01269 190.1
[M+H-H2O]+ 272.04679 176.9
[M+HCOO]- 334.04773 204.6
[M+CH3COO]- 348.06338 210.3
[M+Na-2H]- 310.02420 187.1
[M]+ 289.04898 192.7
[M]- 289.05008 192.7
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.