CID 5273883

Schembl14430890

Structural Information

Molecular Formula

C₂₁H₃₄N₂O₂

SMILES

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

InChI

InChI=1S/C21H34N2O2/c1-3-5-7-8-9-10-11-12-14-19-16-18-17-22-21(23-20(18)25-19)24-15-13-6-4-2/h16-17H,3-15H2,1-2H3

InChIKey

HPENWRSSIHWCQS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 346.26202 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]+	347.26930	190.2
[M+Na]+	369.25124	196.5
[M-H]-	345.25474	191.4
[M+NH4]+	364.29584	202.8
[M+K]+	385.22518	192.6
[M+H-H2O]+	329.25928	180.8
[M+HCOO]-	391.26022	209.5
[M+CH3COO]-	405.27587	215.8
[M+Na-2H]-	367.23669	192.5
[M]+	346.26147	200.4
[M]-	346.26257	200.4

Literature stripe

literature stripe

Patent stripe

patents stripe