CID 11362708

3-chloro-n-[(e)-(4-chlorophenyl)methyleneamino]-5-phenoxy-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C22H14Cl2N2O2S
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)SC(=C3Cl)C(=O)N/N=C/C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H14Cl2N2O2S/c23-15-8-6-14(7-9-15)13-25-26-22(27)21-20(24)18-12-17(10-11-19(18)29-21)28-16-4-2-1-3-5-16/h1-13H,(H,26,27)/b25-13+
InChIKey
AKCHGXCOMWYYOU-DHRITJCHSA-N
Compound name
3-chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.0153 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.02258 202.4
[M+Na]+ 463.00452 213.1
[M-H]- 439.00802 214.5
[M+NH4]+ 458.04912 216.7
[M+K]+ 478.97846 204.9
[M+H-H2O]+ 423.01256 195.1
[M+HCOO]- 485.01350 216.0
[M+CH3COO]- 499.02915 213.1
[M+Na-2H]- 460.98997 204.0
[M]+ 440.01475 211.7
[M]- 440.01585 211.7
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.