CID 495747

Nsc667485

Structural Information

Molecular Formula
C17H20N2O7
SMILES
C1=CC=C(C=C1)CCOC2=CN(C(=O)NC2=O)[C@@H]3[C@H]([C@H]([C@@H](O3)CO)O)O
InChI
InChI=1S/C17H20N2O7/c20-9-12-13(21)14(22)16(26-12)19-8-11(15(23)18-17(19)24)25-7-6-10-4-2-1-3-5-10/h1-5,8,12-14,16,20-22H,6-7,9H2,(H,18,23,24)/t12-,13-,14-,16-/m0/s1
InChIKey
WPGOBQPMYGCVCM-YXWQFLTLSA-N
Compound name
1-[(2S,3S,4R,5S)-3,4-dihydroxy-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

364.12704 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.13432 180.9
[M+Na]+ 387.11626 188.3
[M-H]- 363.11976 184.5
[M+NH4]+ 382.16086 188.3
[M+K]+ 403.09020 184.5
[M+H-H2O]+ 347.12430 172.2
[M+HCOO]- 409.12524 195.4
[M+CH3COO]- 423.14089 205.5
[M+Na-2H]- 385.10171 180.3
[M]+ 364.12649 181.8
[M]- 364.12759 181.8
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.