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]+ 346.15502 182.7
[M+Na]+ 368.13696 188.1
[M-H]- 344.14046 191.9
[M+NH4]+ 363.18156 193.7
[M+K]+ 384.11090 183.0
[M+H-H2O]+ 328.14500 171.2
[M+HCOO]- 390.14594 207.8
[M+CH3COO]- 404.16159 218.3
[M+Na-2H]- 366.12241 188.3
[M]+ 345.14719 183.6
[M]- 345.14829 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.