CID 135480725

O-methylganciclovir

Structural Information

Molecular Formula

C₁₀H₁₅N₅O₄

SMILES

COCC(CO)OCN1C=NC2=C1N=C(NC2=O)N

InChI

InChI=1S/C10H15N5O4/c1-18-3-6(2-16)19-5-15-4-12-7-8(15)13-10(11)14-9(7)17/h4,6,16H,2-3,5H2,1H3,(H3,11,13,14,17)

InChIKey

CVWDOLKVWKFQDM-UHFFFAOYSA-N

Compound name

2-amino-9-[(1-hydroxy-3-methoxypropan-2-yl)oxymethyl]-1H-purin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 269.1124 Da
Monoisotopic Mass: -2.0
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]+	270.11968	157.3
[M+Na]+	292.10162	167.0
[M-H]-	268.10512	154.7
[M+NH4]+	287.14622	169.6
[M+K]+	308.07556	163.6
[M+H-H2O]+	252.10966	148.8
[M+HCOO]-	314.11060	175.6
[M+CH3COO]-	328.12625	194.4
[M+Na-2H]-	290.08707	161.9
[M]+	269.11185	160.7
[M]-	269.11295	160.7

Literature stripe

literature stripe

Patent stripe

patents stripe