CID 9609956

477733-50-9

Structural Information

Molecular Formula
C18H20ClN3O
SMILES
CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)C3CCCCC3)Cl
InChI
InChI=1S/C18H20ClN3O/c1-12-7-8-14-10-15(17(19)21-16(14)9-12)11-20-22-18(23)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,22,23)/b20-11+
InChIKey
PJDDYGTUTNRORA-RGVLZGJSSA-N
Compound name
N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]cyclohexanecarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1295 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.13678 177.5
[M+Na]+ 352.11872 183.2
[M-H]- 328.12222 183.7
[M+NH4]+ 347.16332 191.7
[M+K]+ 368.09266 177.1
[M+H-H2O]+ 312.12676 168.4
[M+HCOO]- 374.12770 193.1
[M+CH3COO]- 388.14335 214.8
[M+Na-2H]- 350.10417 181.0
[M]+ 329.12895 176.0
[M]- 329.13005 176.0
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.