CID 3007809

6-decyl-3-[(2r,5s)-5-(hydroxymethyl)tetrahydrofuran-2-yl]furo[2,3-d]pyrimidin-2-one

Structural Information

Molecular Formula
C21H32N2O4
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3CC[C@H](O3)CO
InChI
InChI=1S/C21H32N2O4/c1-2-3-4-5-6-7-8-9-10-17-13-16-14-23(21(25)22-20(16)27-17)19-12-11-18(15-24)26-19/h13-14,18-19,24H,2-12,15H2,1H3/t18-,19+/m0/s1
InChIKey
PCHKZDPUDNZFHP-RBUKOAKNSA-N
Compound name
6-decyl-3-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.2362 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.24348 193.3
[M+Na]+ 399.22542 200.1
[M-H]- 375.22892 197.9
[M+NH4]+ 394.27002 204.3
[M+K]+ 415.19936 197.0
[M+H-H2O]+ 359.23346 185.4
[M+HCOO]- 421.23440 210.0
[M+CH3COO]- 435.25005 216.1
[M+Na-2H]- 397.21087 192.0
[M]+ 376.23565 200.6
[M]- 376.23675 200.6
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.