CID 11362987

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

Structural Information

Molecular Formula
C23H17ClN2O2S2
SMILES
CSC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl
InChI
InChI=1S/C23H17ClN2O2S2/c1-29-18-10-7-15(8-11-18)14-25-26-23(27)22-21(24)19-13-17(9-12-20(19)30-22)28-16-5-3-2-4-6-16/h2-14H,1H3,(H,26,27)/b25-14+
InChIKey
QMTQPLFBGVIUAX-AFUMVMLFSA-N
Compound name
3-chloro-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.042 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.04928 205.0
[M+Na]+ 475.03122 215.0
[M-H]- 451.03472 217.1
[M+NH4]+ 470.07582 218.7
[M+K]+ 491.00516 206.5
[M+H-H2O]+ 435.03926 197.7
[M+HCOO]- 497.04020 218.0
[M+CH3COO]- 511.05585 215.2
[M+Na-2H]- 473.01667 206.3
[M]+ 452.04145 214.0
[M]- 452.04255 214.0
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.