CID 170855484

4-[(e)-[[3-[[(2e)-2-(4-pyridylmethylene)hydrazino]oxymethyl]-1-adamantyl]methoxyhydrazono]methyl]pyridine

Structural Information

Molecular Formula
C24H30N6O2
SMILES
C1C2CC3(CC(C2)(CC1C3)CON/N=C/C4=CC=NC=C4)CON/N=C/C5=CC=NC=C5
InChI
InChI=1S/C24H30N6O2/c1-5-25-6-2-19(1)14-27-29-31-17-23-10-21-9-22(11-23)13-24(12-21,16-23)18-32-30-28-15-20-3-7-26-8-4-20/h1-8,14-15,21-22,29-30H,9-13,16-18H2/b27-14+,28-15+
InChIKey
YCNXVZLPKNWTIP-VNRWOIRSSA-N
Compound name
4-[(E)-[[3-[[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]oxymethyl]-1-adamantyl]methoxyhydrazinylidene]methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.243 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.25028 180.8
[M+Na]+ 457.23222 179.6
[M-H]- 433.23572 180.1
[M+NH4]+ 452.27682 195.2
[M+K]+ 473.20616 176.0
[M+H-H2O]+ 417.24026 166.3
[M+HCOO]- 479.24120 192.2
[M+CH3COO]- 493.25685 185.8
[M+Na-2H]- 455.21767 197.2
[M]+ 434.24245 182.9
[M]- 434.24355 182.9
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.