CID 508055

Schembl14430895

Structural Information

Molecular Formula

C₂₂H₃₄N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OC3CCCCC3

InChI

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

InChIKey

CBQJORGWFPFBGK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 358.26202 Da
Monoisotopic Mass: 8.0
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	195.5
[M-H]-	357.25474	195.0
[M+NH4]+	376.29584	202.7
[M+K]+	397.22518	191.2
[M+H-H2O]+	341.25928	181.0
[M+HCOO]-	403.26022	207.5
[M+CH3COO]-	417.27587	215.6
[M+Na-2H]-	379.23669	192.3
[M]+	358.26147	194.9
[M]-	358.26257	194.9

Literature stripe

literature stripe

Patent stripe

patents stripe