CID 5271257

133070-83-4

Structural Information

Molecular Formula
C18H17N3O6
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)C3=CC(=NO3)C4=CC=CC=C4)CO)O
InChI
InChI=1S/C18H17N3O6/c22-9-15-13(23)7-16(26-15)21-8-11(17(24)19-18(21)25)14-6-12(20-27-14)10-4-2-1-3-5-10/h1-6,8,13,15-16,22-23H,7,9H2,(H,19,24,25)/t13-,15+,16+/m0/s1
InChIKey
OMVJZCCMNRCBRW-NUEKZKHPSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-phenyl-1,2-oxazol-5-yl)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.11172 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.11900 182.1
[M+Na]+ 394.10094 190.9
[M-H]- 370.10444 190.4
[M+NH4]+ 389.14554 188.7
[M+K]+ 410.07488 187.5
[M+H-H2O]+ 354.10898 173.5
[M+HCOO]- 416.10992 197.4
[M+CH3COO]- 430.12557 192.0
[M+Na-2H]- 392.08639 180.5
[M]+ 371.11117 183.1
[M]- 371.11227 183.1
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.