CID 2443820

731778-58-8

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)CC3=CC=CC=N3)C
InChI
InChI=1S/C16H15N3O3S/c1-3-22-16(21)13-9(2)12-14(20)18-11(19-15(12)23-13)8-10-6-4-5-7-17-10/h4-7H,3,8H2,1-2H3,(H,18,19,20)
InChIKey
SGRDOOCPRYRCOK-UHFFFAOYSA-N
Compound name
ethyl 5-methyl-4-oxo-2-(pyridin-2-ylmethyl)-3H-thieno[2,3-d]pyrimidine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

329.0834 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.09068 175.2
[M+Na]+ 352.07262 189.6
[M+NH4]+ 347.11722 181.6
[M+K]+ 368.04656 182.9
[M-H]- 328.07612 177.0
[M+Na-2H]- 350.05807 181.1
[M]+ 329.08285 178.2
[M]- 329.08395 178.2
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

patents stripe