CID 6877847

N'-benzylidene-3-(4-((4-methylbenzyl)oxy)phenyl)-1h-pyrazole-5-carbohydrazide

Structural Information

Molecular Formula
C25H22N4O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C3=NNC(=C3)C(=O)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C25H22N4O2/c1-18-7-9-20(10-8-18)17-31-22-13-11-21(12-14-22)23-15-24(28-27-23)25(30)29-26-16-19-5-3-2-4-6-19/h2-16H,17H2,1H3,(H,27,28)(H,29,30)/b26-16+
InChIKey
AQNQJAHQOVMLKA-WGOQTCKBSA-N
Compound name
N-[(E)-benzylideneamino]-3-[4-[(4-methylphenyl)methoxy]phenyl]-1H-pyrazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1743 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.18158 202.2
[M+Na]+ 433.16352 216.4
[M+NH4]+ 428.20812 208.4
[M+K]+ 449.13746 209.2
[M-H]- 409.16702 209.9
[M+Na-2H]- 431.14897 213.4
[M]+ 410.17375 206.3
[M]- 410.17485 206.3
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.