CID 5720109

N'-(1-phenylhexylidene)isonicotinohydrazide

Structural Information

Molecular Formula
C18H21N3O
SMILES
CCCCC/C(=N/NC(=O)C1=CC=NC=C1)/C2=CC=CC=C2
InChI
InChI=1S/C18H21N3O/c1-2-3-5-10-17(15-8-6-4-7-9-15)20-21-18(22)16-11-13-19-14-12-16/h4,6-9,11-14H,2-3,5,10H2,1H3,(H,21,22)/b20-17-
InChIKey
SXFGWRXAAZVEHZ-JZJYNLBNSA-N
Compound name
N-[(Z)-1-phenylhexylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.16846 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 171.9
[M+Na]+ 318.15768 175.4
[M-H]- 294.16118 177.4
[M+NH4]+ 313.20228 185.1
[M+K]+ 334.13162 171.5
[M+H-H2O]+ 278.16572 161.8
[M+HCOO]- 340.16666 195.7
[M+CH3COO]- 354.18231 209.8
[M+Na-2H]- 316.14313 176.8
[M]+ 295.16791 171.8
[M]- 295.16901 171.8
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.