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

literature stripe

Patent stripe

patents stripe