CID 6898598

N'-(4-((4-chlorobenzyl)oxy)-3-methoxybenzylidene)nicotinohydrazide

Structural Information

Molecular Formula
C21H18ClN3O3
SMILES
COC1=C(C=CC(=C1)/C=N/NC(=O)C2=CN=CC=C2)OCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18ClN3O3/c1-27-20-11-16(12-24-25-21(26)17-3-2-10-23-13-17)6-9-19(20)28-14-15-4-7-18(22)8-5-15/h2-13H,14H2,1H3,(H,25,26)/b24-12+
InChIKey
IQKIBIORRVCVOE-WYMPLXKRSA-N
Compound name
N-[(E)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.10367 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.11095 193.6
[M+Na]+ 418.09289 209.1
[M+NH4]+ 413.13749 200.6
[M+K]+ 434.06683 199.7
[M-H]- 394.09639 200.5
[M+Na-2H]- 416.07834 204.4
[M]+ 395.10312 198.1
[M]- 395.10422 198.1
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.