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 215.0
[M+Na]+ 462.27270 215.2
[M-H]- 438.27620 218.0
[M+NH4]+ 457.31730 221.3
[M+K]+ 478.24664 205.2
[M+H-H2O]+ 422.28074 208.0
[M+HCOO]- 484.28168 235.1
[M+CH3COO]- 498.29733 230.2
[M+Na-2H]- 460.25815 215.8
[M]+ 439.28293 217.2
[M]- 439.28403 217.2
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

patents stripe