CID 508042

Schembl14430896

Structural Information

Molecular Formula

C₂₂H₃₄N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)C3CCCCC3

InChI

InChI=1S/C22H34N2O2/c1-2-3-4-5-6-7-8-12-15-20-16-18-17-24(19-13-10-9-11-14-19)22(25)23-21(18)26-20/h16-17,19H,2-15H2,1H3

InChIKey

SDHPVCILPOPOJY-UHFFFAOYSA-N

Compound name

3-cyclohexyl-6-decylfuro[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 358.26202 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]+	359.26930	191.5
[M+Na]+	381.25124	196.8
[M-H]-	357.25474	195.5
[M+NH4]+	376.29584	203.0
[M+K]+	397.22518	191.9
[M+H-H2O]+	341.25928	181.4
[M+HCOO]-	403.26022	207.6
[M+CH3COO]-	417.27587	216.2
[M+Na-2H]-	379.23669	191.6
[M]+	358.26147	194.7
[M]-	358.26257	194.7

Literature stripe

literature stripe

Patent stripe

patents stripe