CID 6482281

Chembl191342

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C13H18N2O4/c1-2-3-4-11-7-10-8-15(9-18-6-5-16)13(17)14-12(10)19-11/h7-8,16H,2-6,9H2,1H3
InChIKey
MJAHWSXWASTRTQ-UHFFFAOYSA-N
Compound name
6-butyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 158.3
[M+Na]+ 289.11587 168.6
[M-H]- 265.11937 160.1
[M+NH4]+ 284.16047 173.6
[M+K]+ 305.08981 166.3
[M+H-H2O]+ 249.12391 150.8
[M+HCOO]- 311.12485 179.4
[M+CH3COO]- 325.14050 194.3
[M+Na-2H]- 287.10132 164.0
[M]+ 266.12610 166.5
[M]- 266.12720 166.5
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.