CID 9609579

N'-(1,3-benzodioxol-5-ylmethylene)-4-((4-chlorobenzyl)oxy)benzohydrazide

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]+ 409.09496 196.6
[M+Na]+ 431.07690 211.3
[M+NH4]+ 426.12150 204.3
[M+K]+ 447.05084 204.5
[M-H]- 407.08040 206.3
[M+Na-2H]- 429.06235 204.5
[M]+ 408.08713 201.8
[M]- 408.08823 201.8
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.