CID 9659554

477733-17-8

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
C1CCC(CC1)C(=O)N/N=C/C2=CC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C17H18ClN3O/c18-16-14(10-13-8-4-5-9-15(13)20-16)11-19-21-17(22)12-6-2-1-3-7-12/h4-5,8-12H,1-3,6-7H2,(H,21,22)/b19-11+
InChIKey
WFXUUPLFFBUFMV-YBFXNURJSA-N
Compound name
N-[(E)-(2-chloroquinolin-3-yl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.11383 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 172.2
[M+Na]+ 338.10305 177.5
[M-H]- 314.10655 178.3
[M+NH4]+ 333.14765 186.8
[M+K]+ 354.07699 171.6
[M+H-H2O]+ 298.11109 163.2
[M+HCOO]- 360.11203 188.2
[M+CH3COO]- 374.12768 182.1
[M+Na-2H]- 336.08850 177.1
[M]+ 315.11328 170.0
[M]- 315.11438 170.0
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.