CID 2410068

731820-85-2

Structural Information

Molecular Formula
C16H16ClNO3S
SMILES
CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CCl
InChI
InChI=1S/C16H16ClNO3S/c1-3-21-16(20)13-10(2)14(11-7-5-4-6-8-11)22-15(13)18-12(19)9-17/h4-8H,3,9H2,1-2H3,(H,18,19)
InChIKey
JRIAVAAJDOINCD-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]-4-methyl-5-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 177.5
[M+Na]+ 360.04318 188.9
[M+NH4]+ 355.08778 185.0
[M+K]+ 376.01712 182.0
[M-H]- 336.04668 180.7
[M+Na-2H]- 358.02863 182.8
[M]+ 337.05341 180.6
[M]- 337.05451 180.6
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.