CID 496031

Nsc676868

Structural Information

Molecular Formula
C16H17FN2O5
SMILES
C1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)F
InChI
InChI=1S/C16H17FN2O5/c17-13-14(22)11(9-20)24-15(13)18-7-6-12(21)19(16(18)23)8-10-4-2-1-3-5-10/h1-7,11,13-15,20,22H,8-9H2/t11-,13-,14-,15-/m0/s1
InChIKey
BQPMAFKIDWZUQO-MXAVVETBSA-N
Compound name
3-benzyl-1-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11215 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.11943 174.1
[M+Na]+ 359.10137 183.6
[M-H]- 335.10487 179.1
[M+NH4]+ 354.14597 184.3
[M+K]+ 375.07531 179.5
[M+H-H2O]+ 319.10941 164.6
[M+HCOO]- 381.11035 190.6
[M+CH3COO]- 395.12600 204.5
[M+Na-2H]- 357.08682 173.7
[M]+ 336.11160 174.3
[M]- 336.11270 174.3
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.