CID 15956244

2-(2-adamantyl)-4-methyl-quinoline

Structural Information

Molecular Formula
C20H23N
SMILES
CC1=CC(=NC2=CC=CC=C12)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C20H23N/c1-12-6-19(21-18-5-3-2-4-17(12)18)20-15-8-13-7-14(10-15)11-16(20)9-13/h2-6,13-16,20H,7-11H2,1H3
InChIKey
QJFNEWKFKHYVSC-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

277.18304 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 161.7
[M+Na]+ 300.17226 163.7
[M-H]- 276.17576 159.5
[M+NH4]+ 295.21686 181.8
[M+K]+ 316.14620 157.8
[M+H-H2O]+ 260.18030 151.3
[M+HCOO]- 322.18124 166.0
[M+CH3COO]- 336.19689 168.9
[M+Na-2H]- 298.15771 170.4
[M]+ 277.18249 160.2
[M]- 277.18359 160.2
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.