CID 10358723

Schembl2835784

Structural Information

Molecular Formula
C15H12ClNO3S
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=C(S3)Cl
InChI
InChI=1S/C15H12ClNO3S/c1-17-15(18)13-9-7-8(19-2)3-4-10(9)20-14(13)11-5-6-12(16)21-11/h3-7H,1-2H3,(H,17,18)
InChIKey
PDTPICHARFLRTD-UHFFFAOYSA-N
Compound name
2-(5-chlorothiophen-2-yl)-5-methoxy-N-methyl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

321.02264 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.02992 173.0
[M+Na]+ 344.01186 185.4
[M-H]- 320.01536 183.5
[M+NH4]+ 339.05646 192.8
[M+K]+ 359.98580 181.3
[M+H-H2O]+ 304.01990 168.9
[M+HCOO]- 366.02084 190.3
[M+CH3COO]- 380.03649 186.9
[M+Na-2H]- 341.99731 173.7
[M]+ 321.02209 183.5
[M]- 321.02319 183.5
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