CID 6477457

Nsc667478

Structural Information

Molecular Formula
C19H22N2O6
SMILES
C1[C@H]([C@@H](O[C@@H]1N2C=C(C(=O)NC2=O)OC/C=C/CC3=CC=CC=C3)CO)O
InChI
InChI=1S/C19H22N2O6/c22-12-16-14(23)10-17(27-16)21-11-15(18(24)20-19(21)25)26-9-5-4-8-13-6-2-1-3-7-13/h1-7,11,14,16-17,22-23H,8-10,12H2,(H,20,24,25)/b5-4+/t14-,16+,17+/m1/s1
InChIKey
PXOKGKRKJRGYOJ-FCIYASPPSA-N
Compound name
1-[(2S,4R,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-4-phenylbut-2-enoxy]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1478 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15508 186.2
[M+Na]+ 397.13702 192.9
[M-H]- 373.14052 190.3
[M+NH4]+ 392.18162 193.7
[M+K]+ 413.11096 188.1
[M+H-H2O]+ 357.14506 176.9
[M+HCOO]- 419.14600 201.5
[M+CH3COO]- 433.16165 208.3
[M+Na-2H]- 395.12247 185.3
[M]+ 374.14725 186.8
[M]- 374.14835 186.8
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.