CID 502184

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

Structural Information

Molecular Formula
C21H25N3O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=C(C=CC(=C3)OC)OC
InChI
InChI=1S/C21H25N3O7/c1-13-11-24(20(26)23-19(13)25)18-7-5-16(31-18)12-30-21(27)22-9-8-14-10-15(28-2)4-6-17(14)29-3/h4-7,10-11,16,18H,8-9,12H2,1-3H3,(H,22,27)(H,23,25,26)/t16-,18+/m0/s1
InChIKey
UDVFUDFVFBHZGQ-FUHWJXTLSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-[2-(2,5-dimethoxyphenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

431.16925 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.17653 199.9
[M+Na]+ 454.15847 206.9
[M-H]- 430.16197 207.3
[M+NH4]+ 449.20307 206.2
[M+K]+ 470.13241 204.6
[M+H-H2O]+ 414.16651 189.5
[M+HCOO]- 476.16745 219.1
[M+CH3COO]- 490.18310 227.5
[M+Na-2H]- 452.14392 198.9
[M]+ 431.16870 206.5
[M]- 431.16980 206.5
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.