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]+ 360.207046 176.3
[M+Na]+ 382.188988 176.0
[M-H]- 358.192494 176.4
[M+NH4]+ 377.233593 193.4
[M+K]+ 398.162928 170.8
[M+H-H2O]+ 342.197030 164.1
[M+HCOO]- 404.197971 184.5
[M+CH3COO]- 418.213621 182.2
[M+Na-2H]- 380.174436 186.9
[M]+ 359.19922142 174.6
[M]- 359.20031858 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.