CID 11306532

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

Structural Information

Molecular Formula
C25H21ClN2O5S
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)OC
InChI
InChI=1S/C25H21ClN2O5S/c1-30-19-11-9-15(22(31-2)23(19)32-3)14-27-28-25(29)24-21(26)18-13-17(10-12-20(18)34-24)33-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,28,29)/b27-14+
InChIKey
SHYAPYIHMUNJMT-MZJWZYIUSA-N
Compound name
3-chloro-5-phenoxy-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.08597 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.09325 217.8
[M+Na]+ 519.07519 227.1
[M-H]- 495.07869 230.8
[M+NH4]+ 514.11979 229.3
[M+K]+ 535.04913 221.8
[M+H-H2O]+ 479.08323 209.0
[M+HCOO]- 541.08417 235.8
[M+CH3COO]- 555.09982 242.7
[M+Na-2H]- 517.06064 218.3
[M]+ 496.08542 231.4
[M]- 496.08652 231.4
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.