CID 3011377

Chembl356437

Structural Information

Molecular Formula

C₁₀H₁₇N₄O₅P

SMILES

C1CC1C2=C(N=C(N(C2=O)CCOCP(=O)(O)O)N)N

InChI

InChI=1S/C10H17N4O5P/c11-8-7(6-1-2-6)9(15)14(10(12)13-8)3-4-19-5-20(16,17)18/h6H,1-5,11H2,(H2,12,13)(H2,16,17,18)

InChIKey

CJXBHHCLIYURHM-UHFFFAOYSA-N

Compound name

2-(2,4-diamino-5-cyclopropyl-6-oxopyrimidin-1-yl)ethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 304.09366 Da
Monoisotopic Mass: -2.5
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]+	305.100936	169.4
[M+Na]+	327.082878	178.5
[M-H]-	303.086384	170.4
[M+NH4]+	322.127483	175.7
[M+K]+	343.056818	173.2
[M+H-H2O]+	287.090920	160.0
[M+HCOO]-	349.091861	193.5
[M+CH3COO]-	363.107511	206.5
[M+Na-2H]-	325.068326	169.7
[M]+	304.09311142	172.4
[M]-	304.09420858	172.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.