CID 126831

N(3)-phenacyluridine

Structural Information

Molecular Formula
C17H18N2O7
SMILES
C1=CC=C(C=C1)C(=O)CN2C(=O)C=CN(C2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C17H18N2O7/c20-9-12-14(23)15(24)16(26-12)18-7-6-13(22)19(17(18)25)8-11(21)10-4-2-1-3-5-10/h1-7,12,14-16,20,23-24H,8-9H2/t12-,14-,15-,16-/m1/s1
InChIKey
ABVJRGKUSBWHJY-DTZQCDIJSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-phenacylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

362.1114 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.11868 181.8
[M+Na]+ 385.10062 192.9
[M+NH4]+ 380.14522 184.8
[M+K]+ 401.07456 192.3
[M-H]- 361.10412 183.5
[M+Na-2H]- 383.08607 184.7
[M]+ 362.11085 183.4
[M]- 362.11195 183.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe