CID 201199

Brn 0618492

Structural Information

Molecular Formula
C10H16N5OP
SMILES
CC1=CC(=NC(=N1)NP(=O)(N2CC2)N3CC3)C
InChI
InChI=1S/C10H16N5OP/c1-8-7-9(2)12-10(11-8)13-17(16,14-3-4-14)15-5-6-15/h7H,3-6H2,1-2H3,(H,11,12,13,16)
InChIKey
FNSAGINEJOAOCW-UHFFFAOYSA-N
Compound name
N-[bis(aziridin-1-yl)phosphoryl]-4,6-dimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.10925 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.11653 188.5
[M+Na]+ 276.09847 196.5
[M-H]- 252.10197 192.0
[M+NH4]+ 271.14307 190.1
[M+K]+ 292.07241 191.5
[M+H-H2O]+ 236.10651 177.8
[M+HCOO]- 298.10745 209.4
[M+CH3COO]- 312.12310 208.0
[M+Na-2H]- 274.08392 187.8
[M]+ 253.10870 191.7
[M]- 253.10980 191.7
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.