CID 170855301

N-[(e)-[4-(2-adamantyl)phenyl]methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C23H25N3O
SMILES
C1C2CC3CC1CC(C2)C3C4=CC=C(C=C4)/C=N/NC(=O)C5=CC=NC=C5
InChI
InChI=1S/C23H25N3O/c27-23(19-5-7-24-8-6-19)26-25-14-15-1-3-18(4-2-15)22-20-10-16-9-17(12-20)13-21(22)11-16/h1-8,14,16-17,20-22H,9-13H2,(H,26,27)/b25-14+
InChIKey
JEHLTYXPASLSNW-AFUMVMLFSA-N
Compound name
N-[(E)-[4-(2-adamantyl)phenyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.19977 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.207046 175.7
[M+Na]+ 382.188988 174.9
[M-H]- 358.192494 175.9
[M+NH4]+ 377.233593 191.1
[M+K]+ 398.162928 169.9
[M+H-H2O]+ 342.197030 164.5
[M+HCOO]- 404.197971 183.9
[M+CH3COO]- 418.213621 181.6
[M+Na-2H]- 380.174436 185.1
[M]+ 359.19922142 174.1
[M]- 359.20031858 174.1
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.