CID 11454569

N-[(e)-(3-bromophenyl)methyleneamino]-3-chloro-5-phenoxy-benzothiophene-2-carboxamide

Structural Information

Molecular Formula
C22H14BrClN2O2S
SMILES
C1=CC=C(C=C1)OC2=CC3=C(C=C2)SC(=C3Cl)C(=O)N/N=C/C4=CC(=CC=C4)Br
InChI
InChI=1S/C22H14BrClN2O2S/c23-15-6-4-5-14(11-15)13-25-26-22(27)21-20(24)18-12-17(9-10-19(18)29-21)28-16-7-2-1-3-8-16/h1-13H,(H,26,27)/b25-13+
InChIKey
YOEWHLVCYHWSOB-DHRITJCHSA-N
Compound name
N-[(E)-(3-bromophenyl)methylideneamino]-3-chloro-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.96478 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.97206 198.7
[M+Na]+ 506.95400 211.6
[M-H]- 482.95750 213.3
[M+NH4]+ 501.99860 214.6
[M+K]+ 522.92794 197.0
[M+H-H2O]+ 466.96204 197.2
[M+HCOO]- 528.96298 215.1
[M+CH3COO]- 542.97863 211.5
[M+Na-2H]- 504.93945 202.6
[M]+ 483.96423 224.4
[M]- 483.96533 224.4
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.