CID 200924

Brn 0544709

Structural Information

Molecular Formula
C9H13ClN5OP
SMILES
CC1=CC(=NC(=N1)NP(=O)(N2CC2)N3CC3)Cl
InChI
InChI=1S/C9H13ClN5OP/c1-7-6-8(10)12-9(11-7)13-17(16,14-2-3-14)15-4-5-15/h6H,2-5H2,1H3,(H,11,12,13,16)
InChIKey
GKQOFHBOLAJITI-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-chloro-6-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.05463 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06191 184.5
[M+Na]+ 296.04385 192.9
[M-H]- 272.04735 187.6
[M+NH4]+ 291.08845 186.0
[M+K]+ 312.01779 187.2
[M+H-H2O]+ 256.05189 174.0
[M+HCOO]- 318.05283 201.7
[M+CH3COO]- 332.06848 208.6
[M+Na-2H]- 294.02930 184.1
[M]+ 273.05408 188.7
[M]- 273.05518 188.7
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.