CID 477872

2-adamantyl lepidine

Structural Information

Molecular Formula
C20H23N
SMILES
CC1=CC(=NC2=CC=CC=C12)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C20H23N/c1-13-6-19(21-18-5-3-2-4-17(13)18)20-10-14-7-15(11-20)9-16(8-14)12-20/h2-6,14-16H,7-12H2,1H3
InChIKey
WOHFBVHVHYSETO-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)-4-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

277.18304 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.19032 162.7
[M+Na]+ 300.17226 165.3
[M-H]- 276.17576 160.6
[M+NH4]+ 295.21686 184.5
[M+K]+ 316.14620 159.0
[M+H-H2O]+ 260.18030 151.2
[M+HCOO]- 322.18124 167.1
[M+CH3COO]- 336.19689 170.0
[M+Na-2H]- 298.15771 172.6
[M]+ 277.18249 161.2
[M]- 277.18359 161.2
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