CID 135685335

477733-43-0

Structural Information

Molecular Formula
C17H19N3O2
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC3=CC=CC=C3NC2=O
InChI
InChI=1S/C17H19N3O2/c21-16-14(10-13-8-4-5-9-15(13)19-16)11-18-20-17(22)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,19,21)(H,20,22)/b18-11+
InChIKey
RIEKIBQXKLGBSY-WOJGMQOQSA-N
Compound name
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 166.7
[M+Na]+ 320.13696 170.9
[M-H]- 296.14046 171.7
[M+NH4]+ 315.18156 180.2
[M+K]+ 336.11090 165.8
[M+H-H2O]+ 280.14500 157.3
[M+HCOO]- 342.14594 186.2
[M+CH3COO]- 356.16159 206.2
[M+Na-2H]- 318.12241 171.9
[M]+ 297.14719 161.1
[M]- 297.14829 161.1
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.