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 179.9
[M+Na]+ 365.09304 187.2
[M-H]- 341.09654 184.8
[M+NH4]+ 360.13764 191.6
[M+K]+ 381.06698 180.7
[M+H-H2O]+ 325.10108 171.9
[M+HCOO]- 387.10202 191.8
[M+CH3COO]- 401.11767 204.1
[M+Na-2H]- 363.07849 176.5
[M]+ 342.10327 179.4
[M]- 342.10437 179.4
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.