CID 49766727

Nsc675739

Structural Information

Molecular Formula
C18H20N2O7
SMILES
C[C@@H]1[C@H](OC2=C1C(=O)NC(=O)N2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)C4=CC=CC=C4
InChI
InChI=1S/C18H20N2O7/c1-8-11-15(24)19-18(25)20(17-13(23)12(22)10(7-21)26-17)16(11)27-14(8)9-5-3-2-4-6-9/h2-6,8,10,12-14,17,21-23H,7H2,1H3,(H,19,24,25)/t8-,10+,12+,13+,14-,17+/m0/s1
InChIKey
IVIAWJJDUDQZCX-UVSLELPESA-N
Compound name
(5S,6S)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-6-phenyl-5,6-dihydrofuro[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.12704 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.134316 184.8
[M+Na]+ 399.116258 193.7
[M-H]- 375.119764 190.9
[M+NH4]+ 394.160863 193.7
[M+K]+ 415.090198 190.7
[M+H-H2O]+ 359.124300 178.6
[M+HCOO]- 421.125241 196.9
[M+CH3COO]- 435.140891 194.4
[M+Na-2H]- 397.101706 182.0
[M]+ 376.12649142 186.0
[M]- 376.12758858 186.0
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.