CID 200927

Brn 0617255

Structural Information

Molecular Formula
C9H14N5OP
SMILES
CC1=NC(=NC=C1)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C9H14N5OP/c1-8-2-3-10-9(11-8)12-16(15,13-4-5-13)14-6-7-14/h2-3H,4-7H2,1H3,(H,10,11,12,15)
InChIKey
JPOUGGYRIOZAQQ-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4-methylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0936 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10088 184.5
[M+Na]+ 262.08282 192.2
[M-H]- 238.08632 187.8
[M+NH4]+ 257.12742 186.3
[M+K]+ 278.05676 187.6
[M+H-H2O]+ 222.09086 173.7
[M+HCOO]- 284.09180 205.8
[M+CH3COO]- 298.10745 204.6
[M+Na-2H]- 260.06827 184.9
[M]+ 239.09305 187.0
[M]- 239.09415 187.0
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.