CID 36677

34104-46-6

Structural Information

Molecular Formula
C14H13N3O3
SMILES
C1=CC(=CN=C1)C(=O)NCCOC(=O)C2=CN=CC=C2
InChI
InChI=1S/C14H13N3O3/c18-13(11-3-1-5-15-9-11)17-7-8-20-14(19)12-4-2-6-16-10-12/h1-6,9-10H,7-8H2,(H,17,18)
InChIKey
XHQVBXRLUVDWRQ-UHFFFAOYSA-N
Compound name
2-(pyridine-3-carbonylamino)ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

271.0957 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10298 160.3
[M+Na]+ 294.08492 165.8
[M-H]- 270.08842 163.8
[M+NH4]+ 289.12952 172.6
[M+K]+ 310.05886 162.9
[M+H-H2O]+ 254.09296 150.4
[M+HCOO]- 316.09390 182.0
[M+CH3COO]- 330.10955 197.2
[M+Na-2H]- 292.07037 166.7
[M]+ 271.09515 161.0
[M]- 271.09625 161.0
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.