CID 170855539

N-[(e)-[3-[(e)-(pyridine-4-carbonylhydrazono)methyl]-1-adamantyl]methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C24H26N6O2
SMILES
C1C2CC3(CC(C2)(CC1C3)/C=N/NC(=O)C4=CC=NC=C4)/C=N/NC(=O)C5=CC=NC=C5
InChI
InChI=1S/C24H26N6O2/c31-21(19-1-5-25-6-2-19)29-27-15-23-10-17-9-18(11-23)13-24(12-17,14-23)16-28-30-22(32)20-3-7-26-8-4-20/h1-8,15-18H,9-14H2,(H,29,31)(H,30,32)/b27-15+,28-16+
InChIKey
SCVJDFOOVOFJEU-DPCVLPDWSA-N
Compound name
N-[(E)-[3-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]-1-adamantyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.21173 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21901 183.7
[M+Na]+ 453.20095 182.4
[M-H]- 429.20445 183.1
[M+NH4]+ 448.24555 198.1
[M+K]+ 469.17489 179.0
[M+H-H2O]+ 413.20899 170.2
[M+HCOO]- 475.20993 193.3
[M+CH3COO]- 489.22558 188.5
[M+Na-2H]- 451.18640 197.9
[M]+ 430.21118 183.2
[M]- 430.21228 183.2
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.