CID 5273873

Schembl14430912

Structural Information

Molecular Formula

C₂₄H₃₂N₂O₂

SMILES

CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CC3=CC=C(C=C3)C

InChI

InChI=1S/C24H32N2O2/c1-3-4-5-6-7-8-9-10-11-22-16-21-18-26(24(27)25-23(21)28-22)17-20-14-12-19(2)13-15-20/h12-16,18H,3-11,17H2,1-2H3

InChIKey

CLNLYNNLWNNLQQ-UHFFFAOYSA-N

Compound name

6-decyl-3-[(4-methylphenyl)methyl]furo[2,3-d]pyrimidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 380.24637 Da
Monoisotopic Mass: 6.8
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]+	381.25365	198.0
[M+Na]+	403.23559	206.4
[M-H]-	379.23909	203.3
[M+NH4]+	398.28019	209.2
[M+K]+	419.20953	200.5
[M+H-H2O]+	363.24363	187.8
[M+HCOO]-	425.24457	217.7
[M+CH3COO]-	439.26022	222.2
[M+Na-2H]-	401.22104	199.2
[M]+	380.24582	206.5
[M]-	380.24692	206.5

Literature stripe

literature stripe

Patent stripe

patents stripe