CID 983584

2-[(3,6-dichloro-2-methoxybenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Structural Information

Molecular Formula
C17H16Cl2N2O3S
SMILES
COC1=C(C=CC(=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N)Cl)Cl
InChI
InChI=1S/C17H16Cl2N2O3S/c1-24-14-10(19)7-6-9(18)13(14)16(23)21-17-12(15(20)22)8-4-2-3-5-11(8)25-17/h6-7H,2-5H2,1H3,(H2,20,22)(H,21,23)
InChIKey
KTNAMOJWROUQAM-UHFFFAOYSA-N
Compound name
2-[(3,6-dichloro-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

398.02588 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.03316 188.8
[M+Na]+ 421.01510 196.8
[M-H]- 397.01860 195.7
[M+NH4]+ 416.05970 204.2
[M+K]+ 436.98904 190.4
[M+H-H2O]+ 381.02314 184.4
[M+HCOO]- 443.02408 195.6
[M+CH3COO]- 457.03973 221.6
[M+Na-2H]- 419.00055 185.5
[M]+ 398.02533 193.1
[M]- 398.02643 193.1
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.