CID 728924

Mls000113888

Structural Information

Molecular Formula
C15H16N4O2
SMILES
C1=CC(=CN=C1)NC(=O)CCCC(=O)NC2=CN=CC=C2
InChI
InChI=1S/C15H16N4O2/c20-14(18-12-4-2-8-16-10-12)6-1-7-15(21)19-13-5-3-9-17-11-13/h2-5,8-11H,1,6-7H2,(H,18,20)(H,19,21)
InChIKey
QTWONMVWUFTWDU-UHFFFAOYSA-N
Compound name
N,N'-dipyridin-3-ylpentanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

284.12732 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.134596 165.0
[M+Na]+ 307.116538 169.3
[M-H]- 283.120044 168.4
[M+NH4]+ 302.161143 176.5
[M+K]+ 323.090478 165.6
[M+H-H2O]+ 267.124580 154.8
[M+HCOO]- 329.125521 187.3
[M+CH3COO]- 343.141171 203.2
[M+Na-2H]- 305.101986 171.5
[M]+ 284.12677142 164.0
[M]- 284.12786858 164.0
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.