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 214.4
[M+Na]+ 499.17406 220.6
[M-H]- 475.17756 224.6
[M+NH4]+ 494.21866 219.9
[M+K]+ 515.14800 212.6
[M+H-H2O]+ 459.18210 201.8
[M+HCOO]- 521.18304 235.2
[M+CH3COO]- 535.19869 221.8
[M+Na-2H]- 497.15951 217.0
[M]+ 476.18429 215.7
[M]- 476.18539 215.7
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.