CID 11315752

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

Structural Information

Molecular Formula
C22H15ClN2O2S
SMILES
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/C22H15ClN2O2S/c23-20-18-13-17(27-16-9-5-2-6-10-16)11-12-19(18)28-21(20)22(26)25-24-14-15-7-3-1-4-8-15/h1-14H,(H,25,26)/b24-14+
InChIKey
KGVLCKJZIOBTFO-ZVHZXABRSA-N
Compound name
N-[(E)-benzylideneamino]-3-chloro-5-phenoxy-1-benzothiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.0543 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.06158 195.2
[M+Na]+ 429.04352 204.9
[M-H]- 405.04702 207.8
[M+NH4]+ 424.08812 210.2
[M+K]+ 445.01746 197.3
[M+H-H2O]+ 389.05156 187.1
[M+HCOO]- 451.05250 214.0
[M+CH3COO]- 465.06815 206.5
[M+Na-2H]- 427.02897 198.3
[M]+ 406.05375 202.7
[M]- 406.05485 202.7
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.