CID 15955932

6-decyl-3-pentyl-furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula

C₂₁H₃₄N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CCCCC

InChI

InChI=1S/C21H34N2O2/c1-3-5-7-8-9-10-11-12-14-19-16-18-17-23(15-13-6-4-2)21(24)22-20(18)25-19/h16-17H,3-15H2,1-2H3

InChIKey

JYLGMIJOOKQQDH-UHFFFAOYSA-N

Compound name

6-decyl-3-pentylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 346.26202 Da
Monoisotopic Mass: 6.8
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]+	347.269296	189.7
[M+Na]+	369.251238	197.2
[M-H]-	345.254744	191.3
[M+NH4]+	364.295843	202.6
[M+K]+	385.225178	192.6
[M+H-H2O]+	329.259280	180.7
[M+HCOO]-	391.260221	209.2
[M+CH3COO]-	405.275871	216.3
[M+Na-2H]-	367.236686	191.2
[M]+	346.26147142	199.6
[M]-	346.26256858	199.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.