CID 135568390

Benzoic acid, p-(p-chlorobenzamido)-, 2-(4-hydroxy-3-methoxybenzylidene)hydrazide

Structural Information

Molecular Formula
C22H18ClN3O4
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C22H18ClN3O4/c1-30-20-12-14(2-11-19(20)27)13-24-26-22(29)16-5-9-18(10-6-16)25-21(28)15-3-7-17(23)8-4-15/h2-13,27H,1H3,(H,25,28)(H,26,29)/b24-13+
InChIKey
ICTWNHRFVZURBA-ZMOGYAJESA-N
Compound name
4-[(4-chlorobenzoyl)amino]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.09857 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.10585 199.2
[M+Na]+ 446.08779 205.2
[M-H]- 422.09129 209.0
[M+NH4]+ 441.13239 208.7
[M+K]+ 462.06173 199.8
[M+H-H2O]+ 406.09583 189.5
[M+HCOO]- 468.09677 220.0
[M+CH3COO]- 482.11242 231.6
[M+Na-2H]- 444.07324 201.3
[M]+ 423.09802 202.6
[M]- 423.09912 202.6
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.