CID 135410943

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

Structural Information

Molecular Formula
C23H17ClN2O4S
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl)O
InChI
InChI=1S/C23H17ClN2O4S/c1-29-19-11-14(7-9-18(19)27)13-25-26-23(28)22-21(24)17-12-16(8-10-20(17)31-22)30-15-5-3-2-4-6-15/h2-13,27H,1H3,(H,26,28)/b25-13+
InChIKey
GWECPWXSTOGJAH-DHRITJCHSA-N
Compound name
3-chloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.05975 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.06703 205.0
[M+Na]+ 475.04897 214.5
[M-H]- 451.05247 216.7
[M+NH4]+ 470.09357 217.6
[M+K]+ 491.02291 207.8
[M+H-H2O]+ 435.05701 197.1
[M+HCOO]- 497.05795 222.1
[M+CH3COO]- 511.07360 215.4
[M+Na-2H]- 473.03442 206.6
[M]+ 452.05920 214.5
[M]- 452.06030 214.5
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.