CID 5273892

Schembl14430914

Structural Information

Molecular Formula

C₁₆H₂₄N₂O₂

SMILES

CCCCCCC1=CC2=CN=C(N=C2O1)OCCCC

InChI

InChI=1S/C16H24N2O2/c1-3-5-7-8-9-14-11-13-12-17-16(18-15(13)20-14)19-10-6-4-2/h11-12H,3-10H2,1-2H3

InChIKey

UKZNENNGHKJCCI-UHFFFAOYSA-N

Compound name

2-butoxy-6-hexylfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 276.18378 Da
Monoisotopic Mass: 5.3
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]+	277.191056	167.0
[M+Na]+	299.172998	175.6
[M-H]-	275.176504	169.2
[M+NH4]+	294.217603	182.6
[M+K]+	315.146938	172.9
[M+H-H2O]+	259.181040	158.7
[M+HCOO]-	321.181981	188.1
[M+CH3COO]-	335.197631	201.0
[M+Na-2H]-	297.158446	172.1
[M]+	276.18323142	175.5
[M]-	276.18432858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe