CID 10016913

Schembl2839623

Structural Information

Molecular Formula
C15H13NO3S
SMILES
CNC(=O)C1=C(OC2=C1C=C(C=C2)OC)C3=CC=CS3
InChI
InChI=1S/C15H13NO3S/c1-16-15(17)13-10-8-9(18-2)5-6-11(10)19-14(13)12-4-3-7-20-12/h3-8H,1-2H3,(H,16,17)
InChIKey
ONDUEPWOUDQWRD-UHFFFAOYSA-N
Compound name
5-methoxy-N-methyl-2-thiophen-2-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

287.0616 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.06888 164.4
[M+Na]+ 310.05082 175.2
[M-H]- 286.05432 174.6
[M+NH4]+ 305.09542 184.4
[M+K]+ 326.02476 172.8
[M+H-H2O]+ 270.05886 159.4
[M+HCOO]- 332.05980 186.4
[M+CH3COO]- 346.07545 178.5
[M+Na-2H]- 308.03627 166.3
[M]+ 287.06105 172.4
[M]- 287.06215 172.4
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