CID 903832

Ethyl 2-amino-4-(3-chlorophenyl)-5-methylthiophene-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO2S
SMILES
CCOC(=O)C1=C(SC(=C1C2=CC(=CC=C2)Cl)C)N
InChI
InChI=1S/C14H14ClNO2S/c1-3-18-14(17)12-11(8(2)19-13(12)16)9-5-4-6-10(15)7-9/h4-7H,3,16H2,1-2H3
InChIKey
GEHMIIDYUWPPLX-UHFFFAOYSA-N
Compound name
ethyl 2-amino-4-(3-chlorophenyl)-5-methylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.04337 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.05065 166.5
[M+Na]+ 318.03259 179.2
[M+NH4]+ 313.07719 175.1
[M+K]+ 334.00653 171.9
[M-H]- 294.03609 170.6
[M+Na-2H]- 316.01804 172.4
[M]+ 295.04282 170.2
[M]- 295.04392 170.2
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

No patent data available for this compound.