CID 493050

Chembl59520

Structural Information

Molecular Formula

C₁₀H₁₇N₄O₅P

SMILES

C1CC1NC2=CC(=NC(=N2)N)OCCOCP(=O)(O)O

InChI

InChI=1S/C10H17N4O5P/c11-10-13-8(12-7-1-2-7)5-9(14-10)19-4-3-18-6-20(15,16)17/h5,7H,1-4,6H2,(H2,15,16,17)(H3,11,12,13,14)

InChIKey

YFMQBIZYIZDNGD-UHFFFAOYSA-N

Compound name

2-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]oxyethoxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 24
Patents: 304.09366 Da
Monoisotopic Mass: -0.8
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	168.2
[M+Na]+	327.082878	175.3
[M-H]-	303.086384	168.9
[M+NH4]+	322.127483	174.1
[M+K]+	343.056818	171.1
[M+H-H2O]+	287.090920	158.1
[M+HCOO]-	349.091861	192.9
[M+CH3COO]-	363.107511	205.1
[M+Na-2H]-	325.068326	171.0
[M]+	304.09311142	172.0
[M]-	304.09420858	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe