CID 3047327

Alpha-(p-myristylamino-o-nitrobenzyl)pyridine

Structural Information

Molecular Formula
C26H37N3O3
SMILES
CCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)CC2=CC=CC=N2)[N+](=O)[O-]
InChI
InChI=1S/C26H37N3O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-26(30)28-24-18-17-22(25(21-24)29(31)32)20-23-15-13-14-19-27-23/h13-15,17-19,21H,2-12,16,20H2,1H3,(H,28,30)
InChIKey
ALIKHWUSVOHAJN-UHFFFAOYSA-N
Compound name
N-[3-nitro-4-(pyridin-2-ylmethyl)phenyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

439.28348 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.29076 213.0
[M+Na]+ 462.27270 224.3
[M+NH4]+ 457.31730 218.0
[M+K]+ 478.24664 217.6
[M-H]- 438.27620 217.6
[M+Na-2H]- 460.25815 218.1
[M]+ 439.28293 215.6
[M]- 439.28403 215.6
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

patents stripe