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]+ 362.14992 185.4
[M+Na]+ 384.13186 190.6
[M-H]- 360.13536 194.6
[M+NH4]+ 379.17646 195.6
[M+K]+ 400.10580 186.3
[M+H-H2O]+ 344.13990 173.7
[M+HCOO]- 406.14084 210.7
[M+CH3COO]- 420.15649 220.4
[M+Na-2H]- 382.11731 191.2
[M]+ 361.14209 187.7
[M]- 361.14319 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.