CID 489499

Benzamide, n-[5-fluoro-1,2-dihydro-1-[(2s,4r)-2-methyl-2-[(phenylmethoxy)methyl]-1,3-dioxolan-4-yl]-2-oxo-4-pyrimidinyl]-

Structural Information

Molecular Formula
C23H22FN3O5
SMILES
C[C@@]1(OC[C@@H](O1)N2C=C(C(=NC2=O)NC(=O)C3=CC=CC=C3)F)COCC4=CC=CC=C4
InChI
InChI=1S/C23H22FN3O5/c1-23(15-30-13-16-8-4-2-5-9-16)31-14-19(32-23)27-12-18(24)20(26-22(27)29)25-21(28)17-10-6-3-7-11-17/h2-12,19H,13-15H2,1H3,(H,25,26,28,29)/t19-,23+/m1/s1
InChIKey
KRLLWCPBGCOPBF-XXBNENTESA-N
Compound name
N-[5-fluoro-1-[(2S,4R)-2-methyl-2-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-2-oxopyrimidin-4-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

439.15436 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.16164 203.0
[M+Na]+ 462.14358 209.7
[M-H]- 438.14708 213.3
[M+NH4]+ 457.18818 209.3
[M+K]+ 478.11752 207.3
[M+H-H2O]+ 422.15162 190.7
[M+HCOO]- 484.15256 220.3
[M+CH3COO]- 498.16821 211.7
[M+Na-2H]- 460.12903 204.4
[M]+ 439.15381 205.1
[M]- 439.15491 205.1
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

No patent data available for this compound.