CID 5273605

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

Structural Information

Molecular Formula
C26H26N2O
SMILES
C1C2CC3CC1CC(C2)C3C4=CC(=NC5=CC=CC=C54)C(=O)NC6=CC=CC=C6
InChI
InChI=1S/C26H26N2O/c29-26(27-20-6-2-1-3-7-20)24-15-22(21-8-4-5-9-23(21)28-24)25-18-11-16-10-17(13-18)14-19(25)12-16/h1-9,15-19,25H,10-14H2,(H,27,29)
InChIKey
TVLYZZHMHQOUGL-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-phenylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.2045 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21178 180.0
[M+Na]+ 405.19372 179.3
[M-H]- 381.19722 179.7
[M+NH4]+ 400.23832 194.4
[M+K]+ 421.16766 172.9
[M+H-H2O]+ 365.20176 167.5
[M+HCOO]- 427.20270 183.7
[M+CH3COO]- 441.21835 184.8
[M+Na-2H]- 403.17917 188.2
[M]+ 382.20395 177.3
[M]- 382.20505 177.3
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.