CID 2781926

175277-75-5

Structural Information

Molecular Formula
C14H13F3N2O4S
SMILES
CCOC(=O)C1=C(N=C2C(=C1)C(=C(S2)C(=O)OCC)N)C(F)(F)F
InChI
InChI=1S/C14H13F3N2O4S/c1-3-22-12(20)7-5-6-8(18)9(13(21)23-4-2)24-11(6)19-10(7)14(15,16)17/h5H,3-4,18H2,1-2H3
InChIKey
YVHYPZIKTPMTKQ-UHFFFAOYSA-N
Compound name
diethyl 3-amino-6-(trifluoromethyl)thieno[2,3-b]pyridine-2,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

362.0548 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06208 180.2
[M+Na]+ 385.04402 186.4
[M+NH4]+ 380.08862 183.1
[M+K]+ 401.01796 183.3
[M-H]- 361.04752 175.1
[M+Na-2H]- 383.02947 179.9
[M]+ 362.05425 179.5
[M]- 362.05535 179.5
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

patents stripe