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]+ 286.118606 164.9
[M+Na]+ 308.100548 169.7
[M-H]- 284.104054 168.4
[M+NH4]+ 303.145153 176.5
[M+K]+ 324.074488 167.1
[M+H-H2O]+ 268.108590 154.9
[M+HCOO]- 330.109531 185.3
[M+CH3COO]- 344.125181 201.1
[M+Na-2H]- 306.085996 169.6
[M]+ 285.11078142 165.3
[M]- 285.11187858 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.