CID 5273890

Schembl14430909

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₃

SMILES

CCCCCCCCCCC1=CC2=CN=C(N=C2O1)OCC3=CC=C(C=C3)OC

InChI

InChI=1S/C24H32N2O3/c1-3-4-5-6-7-8-9-10-11-22-16-20-17-25-24(26-23(20)29-22)28-18-19-12-14-21(27-2)15-13-19/h12-17H,3-11,18H2,1-2H3

InChIKey

PCLAAGQFLGCQOK-UHFFFAOYSA-N

Compound name

6-decyl-2-[(4-methoxyphenyl)methoxy]furo[2,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 396.2413 Da
Monoisotopic Mass: 7.7
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]+	397.24858	200.9
[M+Na]+	419.23052	207.9
[M-H]-	395.23402	205.8
[M+NH4]+	414.27512	211.0
[M+K]+	435.20446	203.3
[M+H-H2O]+	379.23856	190.2
[M+HCOO]-	441.23950	220.7
[M+CH3COO]-	455.25515	223.5
[M+Na-2H]-	417.21597	203.0
[M]+	396.24075	211.1
[M]-	396.24185	211.1

Literature stripe

literature stripe

Patent stripe

patents stripe