CID 11167239

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

Structural Information

Molecular Formula
C24H19ClN2O4S
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl)OC
InChI
InChI=1S/C24H19ClN2O4S/c1-29-19-10-8-15(12-20(19)30-2)14-26-27-24(28)23-22(25)18-13-17(9-11-21(18)32-23)31-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,27,28)/b26-14+
InChIKey
FSZQOKLNTFALOK-VULFUBBASA-N
Compound name
3-chloro-N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.0754 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.08268 210.5
[M+Na]+ 489.06462 220.0
[M-H]- 465.06812 223.4
[M+NH4]+ 484.10922 223.2
[M+K]+ 505.03856 213.9
[M+H-H2O]+ 449.07266 202.0
[M+HCOO]- 511.07360 228.8
[M+CH3COO]- 525.08925 221.1
[M+Na-2H]- 487.05007 211.8
[M]+ 466.07485 222.1
[M]- 466.07595 222.1
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.