CID 24844972

102233-00-1

Structural Information

Molecular Formula
C17H15N3O3S
SMILES
CCOC(=O)C1=C2C(=O)NC(=S)N(C2=NC(=C1)C)C3=CC=CC=C3
InChI
InChI=1S/C17H15N3O3S/c1-3-23-16(22)12-9-10(2)18-14-13(12)15(21)19-17(24)20(14)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3,(H,19,21,24)
InChIKey
AFCMUSXQNPCFLP-UHFFFAOYSA-N
Compound name
ethyl 7-methyl-4-oxo-1-phenyl-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0834 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.090676 177.9
[M+Na]+ 364.072618 189.0
[M-H]- 340.076124 181.1
[M+NH4]+ 359.117223 188.5
[M+K]+ 380.046558 181.8
[M+H-H2O]+ 324.080660 168.9
[M+HCOO]- 386.081601 190.5
[M+CH3COO]- 400.097251 188.0
[M+Na-2H]- 362.058066 179.9
[M]+ 341.08285142 182.0
[M]- 341.08394858 182.0
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.