CID 201094

Brn 0570614

Structural Information

Molecular Formula
C12H19N6O2P
SMILES
C1CN1P(=O)(NC2=NC=CC(=N2)N3CCOCC3)N4CC4
InChI
InChI=1S/C12H19N6O2P/c19-21(17-3-4-17,18-5-6-18)15-12-13-2-1-11(14-12)16-7-9-20-10-8-16/h1-2H,3-10H2,(H,13,14,15,19)
InChIKey
PJSPQZPPGOLZQD-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-morpholin-4-ylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.1307 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13798 156.8
[M+Na]+ 333.11992 168.7
[M+NH4]+ 328.16452 162.6
[M+K]+ 349.09386 168.2
[M-H]- 309.12342 171.8
[M+Na-2H]- 331.10537 167.7
[M]+ 310.13015 164.4
[M]- 310.13125 164.4
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.