CID 6898483

N'-[(e)-(4-butoxyphenyl)methylidene]pyridine-4-carbohydrazide

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CCCCOC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2
InChI
InChI=1S/C17H19N3O2/c1-2-3-12-22-16-6-4-14(5-7-16)13-19-20-17(21)15-8-10-18-11-9-15/h4-11,13H,2-3,12H2,1H3,(H,20,21)/b19-13+
InChIKey
HQPHKUGNSIDXNK-CPNJWEJPSA-N
Compound name
N-[(E)-(4-butoxyphenyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

297.14774 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 170.0
[M+Na]+ 320.13696 175.2
[M-H]- 296.14046 176.1
[M+NH4]+ 315.18156 183.5
[M+K]+ 336.11090 171.6
[M+H-H2O]+ 280.14500 160.0
[M+HCOO]- 342.14594 195.4
[M+CH3COO]- 356.16159 209.2
[M+Na-2H]- 318.12241 176.0
[M]+ 297.14719 172.1
[M]- 297.14829 172.1
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.