CID 3705216

Ethyl 2-(2-chloropropanamido)-4-phenylthiophene-3-carboxylate

Structural Information

Molecular Formula
C16H16ClNO3S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)Cl
InChI
InChI=1S/C16H16ClNO3S/c1-3-21-16(20)13-12(11-7-5-4-6-8-11)9-22-15(13)18-14(19)10(2)17/h4-10H,3H2,1-2H3,(H,18,19)
InChIKey
WHILVUAIISUSNW-UHFFFAOYSA-N
Compound name
ethyl 2-(2-chloropropanoylamino)-4-phenylthiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.05396 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.06124 176.9
[M+Na]+ 360.04318 187.6
[M+NH4]+ 355.08778 184.3
[M+K]+ 376.01712 181.4
[M-H]- 336.04668 179.8
[M+Na-2H]- 358.02863 182.2
[M]+ 337.05341 179.8
[M]- 337.05451 179.8
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.