CID 24208945

853315-28-3

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CS2)C3=CC=CC=C3)C
InChI
InChI=1S/C18H18N2O3S/c1-3-23-17(21)15-11(2)19-18(22)20-16(15)14-9-13(10-24-14)12-7-5-4-6-8-12/h4-10,16H,3H2,1-2H3,(H2,19,20,22)
InChIKey
HQAMXLLDPLRSIV-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-oxo-4-(4-phenylthiophen-2-yl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.10382 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.11110 180.4
[M+Na]+ 365.09304 192.2
[M+NH4]+ 360.13764 186.7
[M+K]+ 381.06698 186.0
[M-H]- 341.09654 183.4
[M+Na-2H]- 363.07849 185.9
[M]+ 342.10327 183.2
[M]- 342.10437 183.2
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.