CID 9997110

Schembl2839629

Structural Information

Molecular Formula
C16H14ClNO3S
SMILES
CCOC1=CC2=C(C=C1)OC(=C2C(=O)NC)C3=CC=C(S3)Cl
InChI
InChI=1S/C16H14ClNO3S/c1-3-20-9-4-5-11-10(8-9)14(16(19)18-2)15(21-11)12-6-7-13(17)22-12/h4-8H,3H2,1-2H3,(H,18,19)
InChIKey
SSOBLCYFNRMJFO-UHFFFAOYSA-N
Compound name
2-(5-chlorothiophen-2-yl)-5-ethoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

335.0383 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.04558 177.7
[M+Na]+ 358.02752 189.5
[M-H]- 334.03102 188.0
[M+NH4]+ 353.07212 196.8
[M+K]+ 374.00146 185.2
[M+H-H2O]+ 318.03556 173.3
[M+HCOO]- 380.03650 194.6
[M+CH3COO]- 394.05215 191.1
[M+Na-2H]- 356.01297 177.8
[M]+ 335.03775 188.5
[M]- 335.03885 188.5
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

patents stripe