CID 16072508

N-[(z)-[2-(2-adamantyl)-4-quinolyl]methyleneamino]acetamide

Structural Information

Molecular Formula
C22H25N3O
SMILES
CC(=O)N/N=C\C1=CC(=NC2=CC=CC=C21)C3C4CC5CC(C4)CC3C5
InChI
InChI=1S/C22H25N3O/c1-13(26)25-23-12-18-11-21(24-20-5-3-2-4-19(18)20)22-16-7-14-6-15(9-16)10-17(22)8-14/h2-5,11-12,14-17,22H,6-10H2,1H3,(H,25,26)/b23-12-
InChIKey
QHRKAZIYCMUKFD-FMCGGJTJSA-N
Compound name
N-[(Z)-[2-(2-adamantyl)quinolin-4-yl]methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.19977 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.20705 173.7
[M+Na]+ 370.18899 173.7
[M-H]- 346.19249 171.9
[M+NH4]+ 365.23359 190.8
[M+K]+ 386.16293 168.9
[M+H-H2O]+ 330.19703 163.1
[M+HCOO]- 392.19797 180.1
[M+CH3COO]- 406.21362 179.6
[M+Na-2H]- 368.17444 182.9
[M]+ 347.19922 173.0
[M]- 347.20032 173.0
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.