CID 502178

[(2s,5r)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl n-[2-(2-methoxyphenyl)ethyl]carbamate

Structural Information

Molecular Formula
C20H23N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=CC=CC=C3OC
InChI
InChI=1S/C20H23N3O6/c1-13-11-23(19(25)22-18(13)24)17-8-7-15(29-17)12-28-20(26)21-10-9-14-5-3-4-6-16(14)27-2/h3-8,11,15,17H,9-10,12H2,1-2H3,(H,21,26)(H,22,24,25)/t15-,17+/m0/s1
InChIKey
ATZLYRMEDKIIGU-DOTOQJQBSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-[2-(2-methoxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.1587 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.16598 193.1
[M+Na]+ 424.14792 200.0
[M-H]- 400.15142 200.3
[M+NH4]+ 419.19252 200.5
[M+K]+ 440.12186 197.0
[M+H-H2O]+ 384.15596 182.8
[M+HCOO]- 446.15690 212.6
[M+CH3COO]- 460.17255 220.8
[M+Na-2H]- 422.13337 193.1
[M]+ 401.15815 197.6
[M]- 401.15925 197.6
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.