CID 160105

Ederpin

Structural Information

Molecular Formula

C₁₀H₁₅N₆O₃P

SMILES

COC1=CN=C(N=C1)NC(=O)NP(=O)(N2CC2)N3CC3

InChI

InChI=1S/C10H15N6O3P/c1-19-8-6-11-9(12-7-8)13-10(17)14-20(18,15-2-3-15)16-4-5-16/h6-7H,2-5H2,1H3,(H2,11,12,13,14,17,18)

InChIKey

DQRQBRDDSALHQM-UHFFFAOYSA-N

Compound name

1-[bis(aziridin-1-yl)phosphoryl]-3-(5-methoxypyrimidin-2-yl)urea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 8
Patents: 298.09433 Da
Monoisotopic Mass: -0.6
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]+	299.10161	192.8
[M+Na]+	321.08355	199.2
[M-H]-	297.08705	196.2
[M+NH4]+	316.12815	192.3
[M+K]+	337.05749	194.3
[M+H-H2O]+	281.09159	182.5
[M+HCOO]-	343.09253	214.3
[M+CH3COO]-	357.10818	213.7
[M+Na-2H]-	319.06900	192.9
[M]+	298.09378	196.4
[M]-	298.09488	196.4

Literature stripe

literature stripe

Patent stripe

patents stripe