CID 6450916

95740-12-8

Structural Information

Molecular Formula
C14H18FN3O6
SMILES
CCOC(=O)/C=C/C1=CN(C(=O)N=C1N)[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F
InChI
InChI=1S/C14H18FN3O6/c1-2-23-9(20)4-3-7-5-18(14(22)17-12(7)16)13-10(15)11(21)8(6-19)24-13/h3-5,8,10-11,13,19,21H,2,6H2,1H3,(H2,16,17,22)/b4-3+/t8-,10+,11-,13-/m1/s1
InChIKey
XOXVSKIGKIGHKL-PMQRELNWSA-N
Compound name
ethyl (E)-3-[4-amino-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-5-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

343.11795 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.12523 176.5
[M+Na]+ 366.10717 184.5
[M-H]- 342.11067 177.7
[M+NH4]+ 361.15177 186.2
[M+K]+ 382.08111 181.7
[M+H-H2O]+ 326.11521 167.8
[M+HCOO]- 388.11615 192.1
[M+CH3COO]- 402.13180 208.7
[M+Na-2H]- 364.09262 173.7
[M]+ 343.11740 176.8
[M]- 343.11850 176.8
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.