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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.