CID 16072484

Acetic acid (2-cyclohexyl-quinolin-4-ylmethylene)hydrazide

Structural Information

Molecular Formula
C18H21N3O
SMILES
CC(=O)N/N=C\C1=CC(=NC2=CC=CC=C21)C3CCCCC3
InChI
InChI=1S/C18H21N3O/c1-13(22)21-19-12-15-11-18(14-7-3-2-4-8-14)20-17-10-6-5-9-16(15)17/h5-6,9-12,14H,2-4,7-8H2,1H3,(H,21,22)/b19-12-
InChIKey
CRMSRUVMNKUAQD-UNOMPAQXSA-N
Compound name
N-[(Z)-(2-cyclohexylquinolin-4-yl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.16846 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.17574 169.2
[M+Na]+ 318.15768 173.2
[M-H]- 294.16118 175.3
[M+NH4]+ 313.20228 183.6
[M+K]+ 334.13162 168.7
[M+H-H2O]+ 278.16572 159.3
[M+HCOO]- 340.16666 189.4
[M+CH3COO]- 354.18231 210.0
[M+Na-2H]- 316.14313 174.1
[M]+ 295.16791 165.0
[M]- 295.16901 165.0
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.