CID 5273870

Schembl14430887

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₂

SMILES

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

InChI

InChI=1S/C19H30N2O2/c1-3-5-6-7-8-9-10-11-12-17-14-16-15-21(13-4-2)19(22)20-18(16)23-17/h14-15H,3-13H2,1-2H3

InChIKey

VJWMAZYAOAAUMI-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 318.23074 Da
Monoisotopic Mass: 5.9
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]+	319.23802	180.4
[M+Na]+	341.21996	188.9
[M-H]-	317.22346	182.4
[M+NH4]+	336.26456	194.5
[M+K]+	357.19390	184.8
[M+H-H2O]+	301.22800	171.8
[M+HCOO]-	363.22894	200.6
[M+CH3COO]-	377.24459	210.4
[M+Na-2H]-	339.20541	183.1
[M]+	318.23019	189.7
[M]-	318.23129	189.7

Literature stripe

literature stripe

Patent stripe

patents stripe