CID 9609579

393173-23-4

Structural Information

Molecular Formula
C22H17ClN2O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=N/NC(=O)C3=CC=C(C=C3)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H17ClN2O4/c23-18-6-1-15(2-7-18)13-27-19-8-4-17(5-9-19)22(26)25-24-12-16-3-10-20-21(11-16)29-14-28-20/h1-12H,13-14H2,(H,25,26)/b24-12+
InChIKey
PLHCGDAHUOHZMI-WYMPLXKRSA-N
Compound name
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-4-[(4-chlorophenyl)methoxy]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08768 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.094956 197.8
[M+Na]+ 431.076898 204.9
[M-H]- 407.080404 210.7
[M+NH4]+ 426.121503 208.8
[M+K]+ 447.050838 201.5
[M+H-H2O]+ 391.084940 188.9
[M+HCOO]- 453.085881 216.9
[M+CH3COO]- 467.101531 208.3
[M+Na-2H]- 429.062346 201.9
[M]+ 408.08713142 203.9
[M]- 408.08822858 203.9
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.