CID 170855378

N-[(e)-(3-phenyl-1-adamantyl)methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C23H25N3O
SMILES
C1C2CC3(CC1CC(C2)(C3)C4=CC=CC=C4)/C=N/NC(=O)C5=CC=NC=C5
InChI
InChI=1S/C23H25N3O/c27-21(19-6-8-24-9-7-19)26-25-16-22-11-17-10-18(12-22)14-23(13-17,15-22)20-4-2-1-3-5-20/h1-9,16-18H,10-15H2,(H,26,27)/b25-16+
InChIKey
DRHUTRWGVVACKL-PCLIKHOPSA-N
Compound name
N-[(E)-(3-phenyl-1-adamantyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 176.9
[M+Na]+ 382.18899 177.2
[M-H]- 358.19249 177.0
[M+NH4]+ 377.23359 195.7
[M+K]+ 398.16293 171.9
[M+H-H2O]+ 342.19703 163.7
[M+HCOO]- 404.19797 185.1
[M+CH3COO]- 418.21362 182.9
[M+Na-2H]- 380.17444 188.8
[M]+ 359.19922 175.2
[M]- 359.20032 175.2
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.