CID 170855538

N-[(e)-2-(1-adamantyl)ethylideneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C18H23N3O
SMILES
C1C2CC3CC1CC(C2)(C3)C/C=N/NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C18H23N3O/c22-17(16-1-4-19-5-2-16)21-20-6-3-18-10-13-7-14(11-18)9-15(8-13)12-18/h1-2,4-6,13-15H,3,7-12H2,(H,21,22)/b20-6+
InChIKey
WXGVRZCLLYQKKX-CGOBSMCZSA-N
Compound name
N-[(E)-2-(1-adamantyl)ethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1841 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.19138 163.4
[M+Na]+ 320.17332 163.5
[M-H]- 296.17682 160.7
[M+NH4]+ 315.21792 183.6
[M+K]+ 336.14726 159.6
[M+H-H2O]+ 280.18136 153.6
[M+HCOO]- 342.18230 172.1
[M+CH3COO]- 356.19795 170.4
[M+Na-2H]- 318.15877 175.0
[M]+ 297.18355 162.6
[M]- 297.18465 162.6
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.