CID 9637570

N'-(4-((4-chlorobenzyl)oxy)-3-ethoxybenzylidene)-3-hydroxy-2-naphthohydrazide

Structural Information

Molecular Formula
C27H23ClN2O4
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC3=CC=CC=C3C=C2O)OCC4=CC=C(C=C4)Cl
InChI
InChI=1S/C27H23ClN2O4/c1-2-33-26-13-19(9-12-25(26)34-17-18-7-10-22(28)11-8-18)16-29-30-27(32)23-14-20-5-3-4-6-21(20)15-24(23)31/h3-16,31H,2,17H2,1H3,(H,30,32)/b29-16+
InChIKey
LZSCPCGTAIVYGP-MUFRIFMGSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.13464 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.14192 214.2
[M+Na]+ 497.12386 220.7
[M-H]- 473.12736 224.2
[M+NH4]+ 492.16846 222.8
[M+K]+ 513.09780 214.2
[M+H-H2O]+ 457.13190 203.3
[M+HCOO]- 519.13284 232.3
[M+CH3COO]- 533.14849 240.3
[M+Na-2H]- 495.10931 216.7
[M]+ 474.13409 220.2
[M]- 474.13519 220.2
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.