CID 502181

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

Structural Information

Molecular Formula
C19H20BrN3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=CC=C(C=C3)Br
InChI
InChI=1S/C19H20BrN3O5/c1-12-10-23(18(25)22-17(12)24)16-7-6-15(28-16)11-27-19(26)21-9-8-13-2-4-14(20)5-3-13/h2-7,10,15-16H,8-9,11H2,1H3,(H,21,26)(H,22,24,25)/t15-,16+/m0/s1
InChIKey
XVQIOGREUJRXFC-JKSUJKDBSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-[2-(4-bromophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

449.05862 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.06590 194.4
[M+Na]+ 472.04784 204.1
[M-H]- 448.05134 203.7
[M+NH4]+ 467.09244 204.1
[M+K]+ 488.02178 192.8
[M+H-H2O]+ 432.05588 190.8
[M+HCOO]- 494.05682 211.6
[M+CH3COO]- 508.07247 223.0
[M+Na-2H]- 470.03329 195.7
[M]+ 449.05807 215.4
[M]- 449.05917 215.4
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.