CID 96661

Phosphemide

Structural Information

Molecular Formula
C8H12N5OP
SMILES
C1CN1P(=O)(NC2=NC=CC=N2)N3CC3
InChI
InChI=1S/C8H12N5OP/c14-15(12-4-5-12,13-6-7-13)11-8-9-2-1-3-10-8/h1-3H,4-7H2,(H,9,10,11,14)
InChIKey
IFVGFQAONSKBCR-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

18
References

2298
Patents

225.07794 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08522 138.2
[M+Na]+ 248.06716 150.3
[M+NH4]+ 243.11176 144.7
[M+K]+ 264.04110 149.6
[M-H]- 224.07066 151.3
[M+Na-2H]- 246.05261 150.0
[M]+ 225.07739 145.3
[M]- 225.07849 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe