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]+ 360.207046 176.9
[M+Na]+ 382.188988 177.2
[M-H]- 358.192494 177.0
[M+NH4]+ 377.233593 195.7
[M+K]+ 398.162928 171.9
[M+H-H2O]+ 342.197030 163.7
[M+HCOO]- 404.197971 185.1
[M+CH3COO]- 418.213621 182.9
[M+Na-2H]- 380.174436 188.8
[M]+ 359.19922142 175.2
[M]- 359.20031858 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.