CID 6482285

Chembl189847

Structural Information

Molecular Formula
C19H30N2O4
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C19H30N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-16-14-21(15-24-12-11-22)19(23)20-18(16)25-17/h13-14,22H,2-12,15H2,1H3
InChIKey
YOHDDUHOZMRTRZ-UHFFFAOYSA-N
Compound name
6-decyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

350.22055 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.22783 186.0
[M+Na]+ 373.20977 193.6
[M-H]- 349.21327 186.6
[M+NH4]+ 368.25437 197.8
[M+K]+ 389.18371 189.9
[M+H-H2O]+ 333.21781 177.3
[M+HCOO]- 395.21875 205.0
[M+CH3COO]- 409.23440 212.0
[M+Na-2H]- 371.19522 188.4
[M]+ 350.22000 196.2
[M]- 350.22110 196.2
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.