CID 5273609

4-(2-adamantyl)-n-(3-quinolyl)quinoline-2-carboxamide

Structural Information

Molecular Formula
C29H27N3O
SMILES
C1C2CC3CC1CC(C2)C3C4=CC(=NC5=CC=CC=C54)C(=O)NC6=CC7=CC=CC=C7N=C6
InChI
InChI=1S/C29H27N3O/c33-29(31-22-14-19-5-1-3-7-25(19)30-16-22)27-15-24(23-6-2-4-8-26(23)32-27)28-20-10-17-9-18(12-20)13-21(28)11-17/h1-8,14-18,20-21,28H,9-13H2,(H,31,33)
InChIKey
OEDDCEUROQKWAX-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-quinolin-3-ylquinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.21542 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.22270 187.5
[M+Na]+ 456.20464 187.4
[M-H]- 432.20814 186.9
[M+NH4]+ 451.24924 198.9
[M+K]+ 472.17858 180.2
[M+H-H2O]+ 416.21268 172.3
[M+HCOO]- 478.21362 189.5
[M+CH3COO]- 492.22927 191.2
[M+Na-2H]- 454.19009 196.8
[M]+ 433.21487 185.9
[M]- 433.21597 185.9
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

No patent data available for this compound.