CID 2787471

N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C19H18N2O3S
SMILES
CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC4=CC=CC=C4O3
InChI
InChI=1S/C19H18N2O3S/c1-10-6-7-12-15(8-10)25-19(16(12)17(20)22)21-18(23)14-9-11-4-2-3-5-13(11)24-14/h2-5,9-10H,6-8H2,1H3,(H2,20,22)(H,21,23)
InChIKey
FDSXNCPMTPAHOM-UHFFFAOYSA-N
Compound name
N-(3-carbamoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

354.10382 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11110 181.7
[M+Na]+ 377.09304 189.6
[M-H]- 353.09654 191.2
[M+NH4]+ 372.13764 198.9
[M+K]+ 393.06698 186.1
[M+H-H2O]+ 337.10108 176.5
[M+HCOO]- 399.10202 198.6
[M+CH3COO]- 413.11767 192.9
[M+Na-2H]- 375.07849 181.2
[M]+ 354.10327 184.8
[M]- 354.10437 184.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.