CID 492115

Cf1369

Structural Information

Molecular Formula
C21H32N2O5
SMILES
CCCCCCCCCCC1=CC2=CN(C(=O)N=C2O1)[C@H]3C[C@@H]([C@H](O3)CO)O
InChI
InChI=1S/C21H32N2O5/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/h11,13,17-19,24-25H,2-10,12,14H2,1H3/t17-,18+,19+/m0/s1
InChIKey
YDVGWQCQUBLRBT-IPMKNSEASA-N
Compound name
6-decyl-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

16
References

8
Patents

392.2311 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.23838 196.3
[M+Na]+ 415.22032 203.2
[M-H]- 391.22382 200.0
[M+NH4]+ 410.26492 206.1
[M+K]+ 431.19426 200.1
[M+H-H2O]+ 375.22836 188.8
[M+HCOO]- 437.22930 211.6
[M+CH3COO]- 451.24495 217.4
[M+Na-2H]- 413.20577 194.2
[M]+ 392.23055 203.7
[M]- 392.23165 203.7
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.