CID 1536910

356568-71-3

Structural Information

Molecular Formula
C16H16ClNO4S
SMILES
CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)OC)NC(=O)CCl
InChI
InChI=1S/C16H16ClNO4S/c1-3-22-16(20)14-12(9-23-15(14)18-13(19)8-17)10-4-6-11(21-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H,18,19)
InChIKey
DQCCEHYOCXXDMM-UHFFFAOYSA-N
Compound name
ethyl 2-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.04886 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.05614 180.4
[M+Na]+ 376.03808 188.4
[M-H]- 352.04158 187.8
[M+NH4]+ 371.08268 196.5
[M+K]+ 392.01202 183.8
[M+H-H2O]+ 336.04612 174.3
[M+HCOO]- 398.04706 195.4
[M+CH3COO]- 412.06271 210.5
[M+Na-2H]- 374.02353 178.3
[M]+ 353.04831 188.8
[M]- 353.04941 188.8
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.