CID 5273885

Schembl14430886

Structural Information

Molecular Formula

C₁₉H₃₀N₂O₂

SMILES

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

InChI

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

InChIKey

DBXYTRATUOCNHK-UHFFFAOYSA-N

Compound name

6-decyl-2-propoxyfuro[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 318.23074 Da
Monoisotopic Mass: 7.1
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	181.0
[M+Na]+	341.21996	188.2
[M-H]-	317.22346	182.6
[M+NH4]+	336.26456	194.8
[M+K]+	357.19390	184.8
[M+H-H2O]+	301.22800	172.0
[M+HCOO]-	363.22894	201.0
[M+CH3COO]-	377.24459	209.9
[M+Na-2H]-	339.20541	184.4
[M]+	318.23019	190.5
[M]-	318.23129	190.5

Literature stripe

literature stripe

Patent stripe

patents stripe