CID 415926

N,n'-hexane-1,6-diyldipyridine-2-carboxamide

Structural Information

Molecular Formula
C18H22N4O2
SMILES
C1=CC=NC(=C1)C(=O)NCCCCCCNC(=O)C2=CC=CC=N2
InChI
InChI=1S/C18H22N4O2/c23-17(15-9-3-7-11-19-15)21-13-5-1-2-6-14-22-18(24)16-10-4-8-12-20-16/h3-4,7-12H,1-2,5-6,13-14H2,(H,21,23)(H,22,24)
InChIKey
PVAKXMJDDIENAM-UHFFFAOYSA-N
Compound name
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1743 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.18158 178.1
[M+Na]+ 349.16352 181.1
[M-H]- 325.16702 180.9
[M+NH4]+ 344.20812 187.9
[M+K]+ 365.13746 176.7
[M+H-H2O]+ 309.17156 167.2
[M+HCOO]- 371.17250 199.4
[M+CH3COO]- 385.18815 212.1
[M+Na-2H]- 347.14897 183.1
[M]+ 326.17375 178.1
[M]- 326.17485 178.1
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.