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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	329.112176	199.5
[M+Na]+	351.094118	206.0
[M-H]-	327.097624	203.1
[M+NH4]+	346.138723	198.2
[M+K]+	367.068058	201.1
[M+H-H2O]+	311.102160	189.4
[M+HCOO]-	373.103101	220.7
[M+CH3COO]-	387.118751	219.0
[M+Na-2H]-	349.079566	198.8
[M]+	328.10435142	204.9
[M]-	328.10544858	204.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.