CID 3059724

N,n'-octamethylenebis(nicotinamide)

Structural Information

Molecular Formula
C20H26N4O2
SMILES
C1=CC(=CN=C1)C(=O)NCCCCCCCCNC(=O)C2=CN=CC=C2
InChI
InChI=1S/C20H26N4O2/c25-19(17-9-7-11-21-15-17)23-13-5-3-1-2-4-6-14-24-20(26)18-10-8-12-22-16-18/h7-12,15-16H,1-6,13-14H2,(H,23,25)(H,24,26)
InChIKey
ZSFKUHCCUBJYMV-UHFFFAOYSA-N
Compound name
N-[8-(pyridine-3-carbonylamino)octyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.20557 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.21285 186.8
[M+Na]+ 377.19479 188.8
[M-H]- 353.19829 189.1
[M+NH4]+ 372.23939 195.3
[M+K]+ 393.16873 184.0
[M+H-H2O]+ 337.20283 175.5
[M+HCOO]- 399.20377 207.3
[M+CH3COO]- 413.21942 218.0
[M+Na-2H]- 375.18024 190.7
[M]+ 354.20502 187.4
[M]- 354.20612 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.