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]+ 316.121106 172.2
[M+Na]+ 338.103048 177.5
[M-H]- 314.106554 178.3
[M+NH4]+ 333.147653 186.8
[M+K]+ 354.076988 171.6
[M+H-H2O]+ 298.111090 163.2
[M+HCOO]- 360.112031 188.2
[M+CH3COO]- 374.127681 182.1
[M+Na-2H]- 336.088496 177.1
[M]+ 315.11328142 170.0
[M]- 315.11437858 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.