CID 16072414

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

Structural Information

Molecular Formula
C24H20ClN3O2S
SMILES
CN(C)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(C3=C(S2)C=CC(=C3)OC4=CC=CC=C4)Cl
InChI
InChI=1S/C24H20ClN3O2S/c1-28(2)17-10-8-16(9-11-17)15-26-27-24(29)23-22(25)20-14-19(12-13-21(20)31-23)30-18-6-4-3-5-7-18/h3-15H,1-2H3,(H,27,29)/b26-15+
InChIKey
PQBJVDCZJQLRAY-CVKSISIWSA-N
Compound name
3-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.09647 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.10375 208.4
[M+Na]+ 472.08569 216.9
[M-H]- 448.08919 222.1
[M+NH4]+ 467.13029 222.0
[M+K]+ 488.05963 210.5
[M+H-H2O]+ 432.09373 199.5
[M+HCOO]- 494.09467 227.7
[M+CH3COO]- 508.11032 218.9
[M+Na-2H]- 470.07114 210.0
[M]+ 449.09592 217.5
[M]- 449.09702 217.5
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.