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

literature stripe

Patent stripe

patents stripe