CID 3052989

Brn 5578452

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC(CNC(=O)C1=CN=CC=C1)OC(=O)C2=CN=CC=C2
InChI
InChI=1S/C15H15N3O3/c1-11(21-15(20)13-5-3-7-17-10-13)8-18-14(19)12-4-2-6-16-9-12/h2-7,9-11H,8H2,1H3,(H,18,19)
InChIKey
SIEBAIMMMMWAEH-UHFFFAOYSA-N
Compound name
1-(pyridine-3-carbonylamino)propan-2-yl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.9
[M+Na]+ 308.10055 169.7
[M-H]- 284.10405 168.4
[M+NH4]+ 303.14515 176.5
[M+K]+ 324.07449 167.1
[M+H-H2O]+ 268.10859 154.9
[M+HCOO]- 330.10953 185.3
[M+CH3COO]- 344.12518 201.1
[M+Na-2H]- 306.08600 169.6
[M]+ 285.11078 165.3
[M]- 285.11188 165.3
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.