CID 502176

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

Structural Information

Molecular Formula
C19H20ClN3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C=C[C@H](O2)COC(=O)NCCC3=CC=CC=C3Cl
InChI
InChI=1S/C19H20ClN3O5/c1-12-10-23(18(25)22-17(12)24)16-7-6-14(28-16)11-27-19(26)21-9-8-13-4-2-3-5-15(13)20/h2-7,10,14,16H,8-9,11H2,1H3,(H,21,26)(H,22,24,25)/t14-,16+/m0/s1
InChIKey
MCJFOMVIVCXEPC-GOEBONIOSA-N
Compound name
[(2S,5R)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)-2,5-dihydrofuran-2-yl]methyl N-[2-(2-chlorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.10916 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.11644 193.4
[M+Na]+ 428.09838 201.8
[M-H]- 404.10188 200.6
[M+NH4]+ 423.14298 201.8
[M+K]+ 444.07232 196.8
[M+H-H2O]+ 388.10642 184.0
[M+HCOO]- 450.10736 208.4
[M+CH3COO]- 464.12301 219.1
[M+Na-2H]- 426.08383 193.1
[M]+ 405.10861 198.4
[M]- 405.10971 198.4
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.