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]+ 342.09068 177.9
[M+Na]+ 364.07262 189.0
[M-H]- 340.07612 181.1
[M+NH4]+ 359.11722 188.5
[M+K]+ 380.04656 181.8
[M+H-H2O]+ 324.08066 168.9
[M+HCOO]- 386.08160 190.5
[M+CH3COO]- 400.09725 188.0
[M+Na-2H]- 362.05807 179.9
[M]+ 341.08285 182.0
[M]- 341.08395 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.