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

literature stripe

Patent stripe

patents stripe