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

literature stripe

Patent stripe

patents stripe