CID 6893824

N'-(4-(benzyloxy)-3-methoxybenzylidene)isonicotinohydrazide

Structural Information

Molecular Formula
C21H19N3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H19N3O3/c1-26-20-13-17(14-23-24-21(25)18-9-11-22-12-10-18)7-8-19(20)27-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,25)/b23-14+
InChIKey
GPFPPIHZJQHVAH-OEAKJJBVSA-N
Compound name
N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.14264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.149916 185.4
[M+Na]+ 384.131858 190.6
[M-H]- 360.135364 194.6
[M+NH4]+ 379.176463 195.6
[M+K]+ 400.105798 186.3
[M+H-H2O]+ 344.139900 173.7
[M+HCOO]- 406.140841 210.7
[M+CH3COO]- 420.156491 220.4
[M+Na-2H]- 382.117306 191.2
[M]+ 361.14209142 187.7
[M]- 361.14318858 187.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.