CID 502177

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

Structural Information

Molecular Formula
C19H21N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C19H21N3O5/c1-13-11-22(18(24)21-17(13)23)16-8-7-15(27-16)12-26-19(25)20-10-9-14-5-3-2-4-6-14/h2-8,11,15-16H,9-10,12H2,1H3,(H,20,25)(H,21,23,24)/t15-,16+/m0/s1
InChIKey
ARVCBAGWGJZGQR-JKSUJKDBSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-(2-phenylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.14813 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.15541 186.0
[M+Na]+ 394.13735 192.8
[M-H]- 370.14085 193.0
[M+NH4]+ 389.18195 194.6
[M+K]+ 410.11129 189.2
[M+H-H2O]+ 354.14539 175.9
[M+HCOO]- 416.14633 205.7
[M+CH3COO]- 430.16198 214.2
[M+Na-2H]- 392.12280 187.0
[M]+ 371.14758 188.4
[M]- 371.14868 188.4
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.