CID 492106

Chembl3143048

Structural Information

Molecular Formula
C21H30N2O5
SMILES
C=CCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C21H30N2O5/c1-2-3-4-5-6-7-8-9-10-16-11-15-13-23(21(26)22-20(15)27-16)19-12-17(25)18(14-24)28-19/h2,11,13,17-19,24-25H,1,3-10,12,14H2/t17-,18+,19+/m0/s1
InChIKey
ALIRUNYFEMSZKR-IPMKNSEASA-N
Compound name
6-dec-9-enyl-3-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]furo[2,3-d]pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.21548 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.22276 195.5
[M+Na]+ 413.20470 202.7
[M-H]- 389.20820 199.2
[M+NH4]+ 408.24930 205.2
[M+K]+ 429.17864 198.9
[M+H-H2O]+ 373.21274 188.0
[M+HCOO]- 435.21368 210.9
[M+CH3COO]- 449.22933 216.8
[M+Na-2H]- 411.19015 193.3
[M]+ 390.21493 202.1
[M]- 390.21603 202.1
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.