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

62
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

patents stripe