CID 475317

2-[[5-methyl-6-(m-tolylsulfanyl)-2,4-dioxo-pyrimidin-1-yl]methoxy]ethyl n-ethylcarbamate

Structural Information

Molecular Formula
C18H23N3O5S
SMILES
CCNC(=O)OCCOCN1C(=C(C(=O)NC1=O)C)SC2=CC=CC(=C2)C
InChI
InChI=1S/C18H23N3O5S/c1-4-19-18(24)26-9-8-25-11-21-16(13(3)15(22)20-17(21)23)27-14-7-5-6-12(2)10-14/h5-7,10H,4,8-9,11H2,1-3H3,(H,19,24)(H,20,22,23)
InChIKey
WDSNXVFSMINHBO-UHFFFAOYSA-N
Compound name
2-[[5-methyl-6-(3-methylphenyl)sulfanyl-2,4-dioxopyrimidin-1-yl]methoxy]ethyl N-ethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.13583 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14311 190.7
[M+Na]+ 416.12505 198.4
[M-H]- 392.12855 193.8
[M+NH4]+ 411.16965 199.2
[M+K]+ 432.09899 193.0
[M+H-H2O]+ 376.13309 181.2
[M+HCOO]- 438.13403 205.8
[M+CH3COO]- 452.14968 219.5
[M+Na-2H]- 414.11050 189.9
[M]+ 393.13528 197.7
[M]- 393.13638 197.7
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.