CID 1051896

493002-56-5

Structural Information

Molecular Formula
C19H22N2O3S
SMILES
CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3OC
InChI
InChI=1S/C19H22N2O3S/c1-3-20-18(23)16-13-9-5-7-11-15(13)25-19(16)21-17(22)12-8-4-6-10-14(12)24-2/h4,6,8,10H,3,5,7,9,11H2,1-2H3,(H,20,23)(H,21,22)
InChIKey
DLIFYHZAFGZYEO-UHFFFAOYSA-N
Compound name
N-ethyl-2-[(2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1351 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.14238 183.2
[M+Na]+ 381.12432 192.0
[M+NH4]+ 376.16892 190.6
[M+K]+ 397.09826 185.8
[M-H]- 357.12782 187.2
[M+Na-2H]- 379.10977 187.6
[M]+ 358.13455 185.8
[M]- 358.13565 185.8
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.