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 172.3
[M+Na]+ 338.10305 185.5
[M+NH4]+ 333.14765 181.1
[M+K]+ 354.07699 176.4
[M-H]- 314.10655 177.9
[M+Na-2H]- 336.08850 180.1
[M]+ 315.11328 175.9
[M]- 315.11438 175.9
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.