CID 16228686

Ethyl 2-(3-chloropropanamido)-4-(thiophen-2-yl)thiophene-3-carboxylate

Structural Information

Molecular Formula
C14H14ClNO3S2
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CS2)NC(=O)CCCl
InChI
InChI=1S/C14H14ClNO3S2/c1-2-19-14(18)12-9(10-4-3-7-20-10)8-21-13(12)16-11(17)5-6-15/h3-4,7-8H,2,5-6H2,1H3,(H,16,17)
InChIKey
RYLAHDPEPLYKDR-UHFFFAOYSA-N
Compound name
ethyl 2-(3-chloropropanoylamino)-4-thiophen-2-ylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.01038 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.01766 179.9
[M+Na]+ 365.99960 189.3
[M-H]- 342.00310 187.9
[M+NH4]+ 361.04420 198.5
[M+K]+ 381.97354 183.7
[M+H-H2O]+ 326.00764 175.0
[M+HCOO]- 388.00858 191.9
[M+CH3COO]- 402.02423 205.5
[M+Na-2H]- 363.98505 176.1
[M]+ 343.00983 188.9
[M]- 343.01093 188.9
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.