CID 43367

60595-61-1

Structural Information

Molecular Formula

C₁₁H₁₇N₅O₃

SMILES

CC(CNC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C11H17N5O3/c1-6(17)5-12-10-13-8-7(14(10)2)9(18)16(4)11(19)15(8)3/h6,17H,5H2,1-4H3,(H,12,13)

InChIKey

TVEWRJQZOLMGPB-UHFFFAOYSA-N

Compound name

8-(2-hydroxypropylamino)-1,3,7-trimethylpurine-2,6-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 267.13315 Da
Monoisotopic Mass: -0.4
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]+	268.140426	160.4
[M+Na]+	290.122368	173.4
[M-H]-	266.125874	160.6
[M+NH4]+	285.166973	174.7
[M+K]+	306.096308	169.5
[M+H-H2O]+	250.130410	152.7
[M+HCOO]-	312.131351	180.3
[M+CH3COO]-	326.147001	201.2
[M+Na-2H]-	288.107816	163.4
[M]+	267.13260142	166.1
[M]-	267.13369858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.