CID 5275934

Schembl9780868

Structural Information

Molecular Formula
C24H25N3O5
SMILES
CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CNC(=O)C3=CC=CC=C3C4=CC=CC=C4)O
InChI
InChI=1S/C24H25N3O5/c1-2-15-14-27(24(31)26-22(15)29)21-12-19(28)20(32-21)13-25-23(30)18-11-7-6-10-17(18)16-8-4-3-5-9-16/h3-11,14,19-21,28H,2,12-13H2,1H3,(H,25,30)(H,26,29,31)/t19-,20+,21+/m0/s1
InChIKey
RJXFJSVDKNROFF-PWRODBHTSA-N
Compound name
N-[[(2R,3S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-2-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

435.1794 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.18668 204.2
[M+Na]+ 458.16862 210.1
[M-H]- 434.17212 213.0
[M+NH4]+ 453.21322 209.1
[M+K]+ 474.14256 204.8
[M+H-H2O]+ 418.17666 193.3
[M+HCOO]- 480.17760 220.3
[M+CH3COO]- 494.19325 227.1
[M+Na-2H]- 456.15407 202.1
[M]+ 435.17885 203.4
[M]- 435.17995 203.4
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.