CID 11646777

Ly2334737

Structural Information

Molecular Formula
C17H25F2N3O5
SMILES
CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)[C@H]2C([C@@H]([C@H](O2)CO)O)(F)F
InChI
InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1
InChIKey
MEOYFIHNRBNEPI-UXIGCNINSA-N
Compound name
N-[1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]-2-propylpentanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

16
References

37
Patents

389.17624 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18352 187.9
[M+Na]+ 412.16546 194.3
[M-H]- 388.16896 187.6
[M+NH4]+ 407.21006 197.7
[M+K]+ 428.13940 191.7
[M+H-H2O]+ 372.17350 178.9
[M+HCOO]- 434.17444 200.8
[M+CH3COO]- 448.19009 218.6
[M+Na-2H]- 410.15091 185.2
[M]+ 389.17569 187.9
[M]- 389.17679 187.9
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