CID 135635319

N'-[(e)-(2-hydroxy-1-naphthyl)methylidene]-3-{2-[(4-methylbenzyl)oxy]phenyl}-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C29H24N4O3
SMILES
CC1=CC=C(C=C1)COC2=CC=CC=C2C3=NNC(=C3)C(=O)N/N=C/C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C29H24N4O3/c1-19-10-12-20(13-11-19)18-36-28-9-5-4-8-23(28)25-16-26(32-31-25)29(35)33-30-17-24-22-7-3-2-6-21(22)14-15-27(24)34/h2-17,34H,18H2,1H3,(H,31,32)(H,33,35)/b30-17+
InChIKey
WBGKDFXLFMZCBV-OCSSWDANSA-N
Compound name
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[2-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.18484 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.19212 219.3
[M+Na]+ 499.17406 235.2
[M+NH4]+ 494.21866 225.2
[M+K]+ 515.14800 227.5
[M-H]- 475.17756 227.6
[M+Na-2H]- 497.15951 230.0
[M]+ 476.18429 223.9
[M]- 476.18539 223.9
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.