CID 24844971

102207-64-7

Structural Information

Molecular Formula
C19H19N3O3S
SMILES
CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=S)N(C2=O)C)CC3=CC=CC=C3
InChI
InChI=1S/C19H19N3O3S/c1-4-25-18(24)14-10-12(2)20-16-15(14)17(23)21(3)19(26)22(16)11-13-8-6-5-7-9-13/h5-10H,4,11H2,1-3H3
InChIKey
OYBUNRVOVOWJLS-UHFFFAOYSA-N
Compound name
ethyl 1-benzyl-3,7-dimethyl-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.11472 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.12200 186.6
[M+Na]+ 392.10394 198.0
[M-H]- 368.10744 191.2
[M+NH4]+ 387.14854 197.0
[M+K]+ 408.07788 191.3
[M+H-H2O]+ 352.11198 177.0
[M+HCOO]- 414.11292 199.9
[M+CH3COO]- 428.12857 217.7
[M+Na-2H]- 390.08939 187.2
[M]+ 369.11417 193.5
[M]- 369.11527 193.5
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.