CID 16072891

3-cyclohexyl-7-methyl-2-phenyl-quinoline

Structural Information

Molecular Formula
C22H23N
SMILES
CC1=CC2=NC(=C(C=C2C=C1)C3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H23N/c1-16-12-13-19-15-20(17-8-4-2-5-9-17)22(23-21(19)14-16)18-10-6-3-7-11-18/h3,6-7,10-15,17H,2,4-5,8-9H2,1H3
InChIKey
HANJQOQCLGMRLC-UHFFFAOYSA-N
Compound name
3-cyclohexyl-7-methyl-2-phenylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.18304 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.19032 174.0
[M+Na]+ 324.17226 179.5
[M-H]- 300.17576 182.0
[M+NH4]+ 319.21686 187.9
[M+K]+ 340.14620 172.6
[M+H-H2O]+ 284.18030 163.3
[M+HCOO]- 346.18124 190.9
[M+CH3COO]- 360.19689 183.8
[M+Na-2H]- 322.15771 177.8
[M]+ 301.18249 168.8
[M]- 301.18359 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.