CID 5273874

Schembl14430910

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)CC3=CC=C(C=C3)OC
InChI
InChI=1S/C24H32N2O3/c1-3-4-5-6-7-8-9-10-11-22-16-20-18-26(24(27)25-23(20)29-22)17-19-12-14-21(28-2)15-13-19/h12-16,18H,3-11,17H2,1-2H3
InChIKey
SHJJUKLCHFDKDQ-UHFFFAOYSA-N
Compound name
6-decyl-3-[(4-methoxyphenyl)methyl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

396.2413 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.24858 200.9
[M+Na]+ 419.23052 209.0
[M-H]- 395.23402 206.2
[M+NH4]+ 414.27512 211.3
[M+K]+ 435.20446 203.9
[M+H-H2O]+ 379.23856 190.5
[M+HCOO]- 441.23950 220.8
[M+CH3COO]- 455.25515 224.2
[M+Na-2H]- 417.21597 202.2
[M]+ 396.24075 210.8
[M]- 396.24185 210.8
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.