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]+ 377.13432 184.8
[M+Na]+ 399.11626 193.7
[M-H]- 375.11976 190.9
[M+NH4]+ 394.16086 193.7
[M+K]+ 415.09020 190.7
[M+H-H2O]+ 359.12430 178.6
[M+HCOO]- 421.12524 196.9
[M+CH3COO]- 435.14089 194.4
[M+Na-2H]- 397.10171 182.0
[M]+ 376.12649 186.0
[M]- 376.12759 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.