CID 201093

Brn 0699355

Structural Information

Molecular Formula
C13H21N6OP
SMILES
C1CCN(CC1)C2=NC(=NC=C2)NP(=O)(N3CC3)N4CC4
InChI
InChI=1S/C13H21N6OP/c20-21(18-8-9-18,19-10-11-19)16-13-14-5-4-12(15-13)17-6-2-1-3-7-17/h4-5H,1-3,6-11H2,(H,14,15,16,20)
InChIKey
ZPZNWNRHEQWETP-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-piperidin-1-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.15146 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15874 203.5
[M+Na]+ 331.14068 208.0
[M-H]- 307.14418 206.6
[M+NH4]+ 326.18528 201.0
[M+K]+ 347.11462 202.9
[M+H-H2O]+ 291.14872 191.2
[M+HCOO]- 353.14966 220.0
[M+CH3COO]- 367.16531 214.4
[M+Na-2H]- 329.12613 201.2
[M]+ 308.15091 201.3
[M]- 308.15201 201.3
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.