CID 165362805

Dtxsid901021466

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₃

SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)O)CC(CO)O

InChI

InChI=1S/C14H17N3O3/c1-9-6-11(7-13(20)8-18)17-14(15-9)16-10-2-4-12(19)5-3-10/h2-6,13,18-20H,7-8H2,1H3,(H,15,16,17)

InChIKey

ZZNKMAMJVMBHSI-UHFFFAOYSA-N

Compound name

3-[2-(4-hydroxyanilino)-6-methylpyrimidin-4-yl]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 275.12698 Da
Monoisotopic Mass: 1.1
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]+	276.134256	163.5
[M+Na]+	298.116198	170.1
[M-H]-	274.119704	163.9
[M+NH4]+	293.160803	174.6
[M+K]+	314.090138	165.4
[M+H-H2O]+	258.124240	154.8
[M+HCOO]-	320.125181	181.3
[M+CH3COO]-	334.140831	195.8
[M+Na-2H]-	296.101646	167.4
[M]+	275.12643142	162.1
[M]-	275.12752858	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.