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 204.5
[M+Na]+ 333.11992 209.5
[M-H]- 309.12342 208.4
[M+NH4]+ 328.16452 200.9
[M+K]+ 349.09386 206.0
[M+H-H2O]+ 293.12796 191.9
[M+HCOO]- 355.12890 220.4
[M+CH3COO]- 369.14455 213.9
[M+Na-2H]- 331.10537 202.9
[M]+ 310.13015 203.8
[M]- 310.13125 203.8
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.