CID 502187

(2-thiophen-2-yl-ethyl)-carbamic acid (2s,5r)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2h-pyrimidin-1-yl)-2,5-dihydro-furan-2-ylmethyl ester

Structural Information

Molecular Formula
C17H19N3O5S
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=CC=CS3
InChI
InChI=1S/C17H19N3O5S/c1-11-9-20(16(22)19-15(11)21)14-5-4-12(25-14)10-24-17(23)18-7-6-13-3-2-8-26-13/h2-5,8-9,12,14H,6-7,10H2,1H3,(H,18,23)(H,19,21,22)/t12-,14+/m0/s1
InChIKey
DEVDOWDZFHXZJD-GXTWGEPZSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-(2-thiophen-2-ylethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.10455 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11183 186.1
[M+Na]+ 400.09377 194.2
[M-H]- 376.09727 194.1
[M+NH4]+ 395.13837 197.4
[M+K]+ 416.06771 190.7
[M+H-H2O]+ 360.10181 178.6
[M+HCOO]- 422.10275 202.9
[M+CH3COO]- 436.11840 211.7
[M+Na-2H]- 398.07922 183.5
[M]+ 377.10400 191.3
[M]- 377.10510 191.3
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.