CID 495738

Nsc667476

Structural Information

Molecular Formula
C17H20N2O6
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)OCCC3=CC=CC=C3)CO)O
InChI
InChI=1S/C17H20N2O6/c20-10-14-12(21)8-15(25-14)19-9-13(16(22)18-17(19)23)24-7-6-11-4-2-1-3-5-11/h1-5,9,12,14-15,20-21H,6-8,10H2,(H,18,22,23)/t12-,14+,15+/m1/s1
InChIKey
ZJJFIMAIGKXEKX-SNPRPXQTSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(2-phenylethoxy)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.13214 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.13942 177.9
[M+Na]+ 371.12136 185.2
[M-H]- 347.12486 182.4
[M+NH4]+ 366.16596 186.5
[M+K]+ 387.09530 181.3
[M+H-H2O]+ 331.12940 168.9
[M+HCOO]- 393.13034 193.8
[M+CH3COO]- 407.14599 203.7
[M+Na-2H]- 369.10681 178.1
[M]+ 348.13159 178.6
[M]- 348.13269 178.6
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.