CID 495279

Nsc648477

Structural Information

Molecular Formula
C17H15FN2O5
SMILES
C1[C@H](O[C@H](C1O)CO)N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)F
InChI
InChI=1S/C17H15FN2O5/c18-12-5-2-10(3-6-12)1-4-11-8-20(17(24)19-16(11)23)15-7-13(22)14(9-21)25-15/h2-3,5-6,8,13-15,21-22H,7,9H2,(H,19,23,24)/t13?,14-,15-/m0/s1
InChIKey
FNGINWUFVMAGTI-FGRDXJNISA-N
Compound name
5-[2-(4-fluorophenyl)ethynyl]-1-[(2S,5S)-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

346.0965 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10378 176.8
[M+Na]+ 369.08572 187.8
[M-H]- 345.08922 177.2
[M+NH4]+ 364.13032 184.3
[M+K]+ 385.05966 180.6
[M+H-H2O]+ 329.09376 161.2
[M+HCOO]- 391.09470 186.1
[M+CH3COO]- 405.11035 208.3
[M+Na-2H]- 367.07117 174.4
[M]+ 346.09595 168.9
[M]- 346.09705 168.9
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.