CID 5274244

825634-78-4

Structural Information

Molecular Formula
C17H26N2O4
SMILES
CCCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C17H26N2O4/c1-2-3-4-5-6-7-8-15-11-14-12-19(13-22-10-9-20)17(21)18-16(14)23-15/h11-12,20H,2-10,13H2,1H3
InChIKey
OBMFMMYUTYRFJR-UHFFFAOYSA-N
Compound name
3-(2-hydroxyethoxymethyl)-6-octylfuro[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.18927 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.19655 176.8
[M+Na]+ 345.17849 185.3
[M-H]- 321.18199 177.9
[M+NH4]+ 340.22309 189.8
[M+K]+ 361.15243 182.1
[M+H-H2O]+ 305.18653 168.5
[M+HCOO]- 367.18747 196.6
[M+CH3COO]- 381.20312 206.1
[M+Na-2H]- 343.16394 180.4
[M]+ 322.18872 186.4
[M]- 322.18982 186.4
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

No patent data available for this compound.