CID 45054634

4-((4-methylbenzyl)oxy)-n'-(4-pyridinylmethylene)benzohydrazide

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CC1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=NC=C3
InChI
InChI=1S/C21H19N3O2/c1-16-2-4-18(5-3-16)15-26-20-8-6-19(7-9-20)21(25)24-23-14-17-10-12-22-13-11-17/h2-14H,15H2,1H3,(H,24,25)/b23-14+
InChIKey
GFGGJFGXFHYHJS-OEAKJJBVSA-N
Compound name
4-[(4-methylphenyl)methoxy]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.155016 182.7
[M+Na]+ 368.136958 188.1
[M-H]- 344.140464 191.9
[M+NH4]+ 363.181563 193.7
[M+K]+ 384.110898 183.0
[M+H-H2O]+ 328.145000 171.2
[M+HCOO]- 390.145941 207.8
[M+CH3COO]- 404.161591 218.3
[M+Na-2H]- 366.122406 188.3
[M]+ 345.14719142 183.6
[M]- 345.14828858 183.6
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.