CID 731240

17417-67-3

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₃S

SMILES

CCOC(=O)C1=C(C2=C(S1)N=CNC2=O)C

InChI

InChI=1S/C10H10N2O3S/c1-3-15-10(14)7-5(2)6-8(13)11-4-12-9(6)16-7/h4H,3H2,1-2H3,(H,11,12,13)

InChIKey

ZPNFLBDMBNUQAI-UHFFFAOYSA-N

Compound name

ethyl 5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 16
Patents: 238.04121 Da
Monoisotopic Mass: 1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	239.04849	150.8
[M+Na]+	261.03043	163.2
[M+NH4]+	256.07503	157.8
[M+K]+	277.00437	157.8
[M-H]-	237.03393	150.5
[M+Na-2H]-	259.01588	154.6
[M]+	238.04066	152.8
[M]-	238.04176	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe