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]+ 360.20705 175.7
[M+Na]+ 382.18899 174.9
[M-H]- 358.19249 175.9
[M+NH4]+ 377.23359 191.1
[M+K]+ 398.16293 169.9
[M+H-H2O]+ 342.19703 164.5
[M+HCOO]- 404.19797 183.9
[M+CH3COO]- 418.21362 181.6
[M+Na-2H]- 380.17444 185.1
[M]+ 359.19922 174.1
[M]- 359.20032 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.