CID 6482300

Chembl191278

Structural Information

Molecular Formula
C19H26N2O4
SMILES
CCCCCCCCC#CC1=CC2=CN(C(=O)N=C2O1)COCCO
InChI
InChI=1S/C19H26N2O4/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,2-8,11-12,15H2,1H3
InChIKey
NCCVHZLACWWWTK-UHFFFAOYSA-N
Compound name
6-dec-1-ynyl-3-(2-hydroxyethoxymethyl)furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.18927 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.19655 177.7
[M+Na]+ 369.17849 187.7
[M-H]- 345.18199 176.2
[M+NH4]+ 364.22309 188.0
[M+K]+ 385.15243 182.1
[M+H-H2O]+ 329.18653 162.8
[M+HCOO]- 391.18747 191.2
[M+CH3COO]- 405.20312 214.3
[M+Na-2H]- 367.16394 179.4
[M]+ 346.18872 180.4
[M]- 346.18982 180.4
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.