CID 3052992

Brn 5599403

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CCCC(COC(=O)C1=CN=CC=C1)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C17H19N3O3/c1-2-5-15(20-16(21)13-6-3-8-18-10-13)12-23-17(22)14-7-4-9-19-11-14/h3-4,6-11,15H,2,5,12H2,1H3,(H,20,21)
InChIKey
BMKYXSZSYRXNCC-UHFFFAOYSA-N
Compound name
2-(pyridine-3-carbonylamino)pentyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.14264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 173.5
[M+Na]+ 336.13186 184.7
[M+NH4]+ 331.17646 178.7
[M+K]+ 352.10580 179.1
[M-H]- 312.13536 175.4
[M+Na-2H]- 334.11731 180.6
[M]+ 313.14209 175.3
[M]- 313.14319 175.3
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.