CID 3049653

65101-40-8

Structural Information

Molecular Formula
C11H17N6O4P
SMILES
COC1=C(N=CN=C1OC)NC(=O)NP(=O)(N2CC2)N3CC3
InChI
InChI=1S/C11H17N6O4P/c1-20-8-9(12-7-13-10(8)21-2)14-11(18)15-22(19,16-3-4-16)17-5-6-17/h7H,3-6H2,1-2H3,(H2,12,13,14,15,18,19)
InChIKey
MAESJTHTPJZJJA-UHFFFAOYSA-N
Compound name
1-[bis(aziridin-1-yl)phosphoryl]-3-(5,6-dimethoxypyrimidin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.1049 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.11218 199.5
[M+Na]+ 351.09412 206.0
[M-H]- 327.09762 203.1
[M+NH4]+ 346.13872 198.2
[M+K]+ 367.06806 201.1
[M+H-H2O]+ 311.10216 189.4
[M+HCOO]- 373.10310 220.7
[M+CH3COO]- 387.11875 219.0
[M+Na-2H]- 349.07957 198.8
[M]+ 328.10435 204.9
[M]- 328.10545 204.9
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.