CID 170855313

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

Structural Information

Molecular Formula
C23H25N3O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)/C=N/NC(=O)C5=CC=NC=C5
InChI
InChI=1S/C23H25N3O/c27-22(20-5-7-24-8-6-20)26-25-15-16-1-3-21(4-2-16)23-12-17-9-18(13-23)11-19(10-17)14-23/h1-8,15,17-19H,9-14H2,(H,26,27)/b25-15+
InChIKey
JWAJTWFGJAKIQW-MFKUBSTISA-N
Compound name
N-[(E)-[4-(1-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

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.20705 176.3
[M+Na]+ 382.18899 176.0
[M-H]- 358.19249 176.4
[M+NH4]+ 377.23359 193.4
[M+K]+ 398.16293 170.8
[M+H-H2O]+ 342.19703 164.1
[M+HCOO]- 404.19797 184.5
[M+CH3COO]- 418.21362 182.2
[M+Na-2H]- 380.17444 186.9
[M]+ 359.19922 174.6
[M]- 359.20032 174.6
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.