CID 16075464

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

Structural Information

Molecular Formula
C23H17ClN2O3S
SMILES
COC1=CC=CC(=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl
InChI
InChI=1S/C23H17ClN2O3S/c1-28-17-9-5-6-15(12-17)14-25-26-23(27)22-21(24)19-13-18(10-11-20(19)30-22)29-16-7-3-2-4-8-16/h2-14H,1H3,(H,26,27)/b25-14+
InChIKey
ILCANTGWIAKUAB-AFUMVMLFSA-N
Compound name
3-chloro-N-[(E)-(3-methoxyphenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.06485 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.07213 203.0
[M+Na]+ 459.05407 212.6
[M-H]- 435.05757 215.7
[M+NH4]+ 454.09867 216.8
[M+K]+ 475.02801 205.7
[M+H-H2O]+ 419.06211 194.7
[M+HCOO]- 481.06305 221.5
[M+CH3COO]- 495.07870 213.9
[M+Na-2H]- 457.03952 205.2
[M]+ 436.06430 212.5
[M]- 436.06540 212.5
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.