CID 5273606

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

Structural Information

Molecular Formula
C27H28N2O2
SMILES
COC1=CC=C(C=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C4C5CC6CC(C5)CC4C6
InChI
InChI=1S/C27H28N2O2/c1-31-21-8-6-20(7-9-21)28-27(30)25-15-23(22-4-2-3-5-24(22)29-25)26-18-11-16-10-17(13-18)14-19(26)12-16/h2-9,15-19,26H,10-14H2,1H3,(H,28,30)
InChIKey
LMUDCNIFOHGWMA-UHFFFAOYSA-N
Compound name
4-(2-adamantyl)-N-(4-methoxyphenyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.2151 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.22238 189.2
[M+Na]+ 435.20432 188.5
[M-H]- 411.20782 189.0
[M+NH4]+ 430.24892 202.6
[M+K]+ 451.17826 183.0
[M+H-H2O]+ 395.21236 176.5
[M+HCOO]- 457.21330 192.5
[M+CH3COO]- 471.22895 193.6
[M+Na-2H]- 433.18977 196.3
[M]+ 412.21455 188.5
[M]- 412.21565 188.5
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.