CID 508048

Schembl14430891

Structural Information

Molecular Formula

C₂₁H₃₂N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OC3CCCC3

InChI

InChI=1S/C21H32N2O2/c1-2-3-4-5-6-7-8-9-14-19-15-17-16-22-21(23-20(17)24-19)25-18-12-10-11-13-18/h15-16,18H,2-14H2,1H3

InChIKey

LVPMBGFWAFPGMX-UHFFFAOYSA-N

Compound name

2-cyclopentyloxy-6-decylfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 344.24637 Da
Monoisotopic Mass: 7.5
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]+	345.25365	186.9
[M+Na]+	367.23559	192.2
[M-H]-	343.23909	191.3
[M+NH4]+	362.28019	200.7
[M+K]+	383.20953	188.5
[M+H-H2O]+	327.24363	177.7
[M+HCOO]-	389.24457	205.6
[M+CH3COO]-	403.26022	212.3
[M+Na-2H]-	365.22104	186.5
[M]+	344.24582	192.4
[M]-	344.24692	192.4

Literature stripe

literature stripe

Patent stripe

patents stripe