CID 1230377

Ethyl 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate

Structural Information

Molecular Formula
C18H15F3N2O3S
SMILES
CCOC(=O)C1=C(C2=C(S1)N=C(C=C2C(F)(F)F)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C18H15F3N2O3S/c1-3-26-17(24)15-14(22)13-11(18(19,20)21)8-12(23-16(13)27-15)9-4-6-10(25-2)7-5-9/h4-8H,3,22H2,1-2H3
InChIKey
LGNBTVFAKSIGIZ-UHFFFAOYSA-N
Compound name
ethyl 3-amino-6-(4-methoxyphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.07556 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.08284 189.2
[M+Na]+ 419.06478 198.5
[M+NH4]+ 414.10938 193.6
[M+K]+ 435.03872 193.2
[M-H]- 395.06828 187.7
[M+Na-2H]- 417.05023 192.5
[M]+ 396.07501 190.3
[M]- 396.07611 190.3
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.