CID 489497

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

Structural Information

Molecular Formula
C23H23N3O5
SMILES
C[C@@]1(OC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COCC4=CC=CC=C4
InChI
InChI=1S/C23H23N3O5/c1-23(16-29-14-17-8-4-2-5-9-17)30-15-20(31-23)26-13-12-19(25-22(26)28)24-21(27)18-10-6-3-7-11-18/h2-13,20H,14-16H2,1H3,(H,24,25,27,28)/t20-,23+/m1/s1
InChIKey
BGDIZIJOLNUOGK-OFNKIYASSA-N
Compound name
N-[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

421.16376 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.17104 199.1
[M+Na]+ 444.15298 204.9
[M-H]- 420.15648 210.5
[M+NH4]+ 439.19758 205.9
[M+K]+ 460.12692 203.0
[M+H-H2O]+ 404.16102 187.6
[M+HCOO]- 466.16196 217.5
[M+CH3COO]- 480.17761 208.1
[M+Na-2H]- 442.13843 201.9
[M]+ 421.16321 201.8
[M]- 421.16431 201.8
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.