CID 5273610

4-(2-adamantyl)-n-benzyl-quinoline-2-carboxamide

Structural Information

Molecular Formula
C27H28N2O
SMILES
C1C2CC3CC1CC(C2)C3C4=CC(=NC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6
InChI
InChI=1S/C27H28N2O/c30-27(28-16-17-6-2-1-3-7-17)25-15-23(22-8-4-5-9-24(22)29-25)26-20-11-18-10-19(13-20)14-21(26)12-18/h1-9,15,18-21,26H,10-14,16H2,(H,28,30)
InChIKey
BIKFWEONKRFPRT-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-benzylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.22015 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.22743 184.4
[M+Na]+ 419.20937 183.1
[M-H]- 395.21287 183.8
[M+NH4]+ 414.25397 198.2
[M+K]+ 435.18331 176.6
[M+H-H2O]+ 379.21741 171.6
[M+HCOO]- 441.21835 187.7
[M+CH3COO]- 455.23400 188.7
[M+Na-2H]- 417.19482 192.0
[M]+ 396.21960 181.9
[M]- 396.22070 181.9
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.