CID 3052990

Brn 5584279

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CC(CN(C)C(=O)C1=CN=CC=C1)OC(=O)C2=CN=CC=C2
InChI
InChI=1S/C16H17N3O3/c1-12(22-16(21)14-6-4-8-18-10-14)11-19(2)15(20)13-5-3-7-17-9-13/h3-10,12H,11H2,1-2H3
InChIKey
MMSVZJULAKEUFE-UHFFFAOYSA-N
Compound name
1-[methyl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 169.0
[M+Na]+ 322.11620 173.5
[M-H]- 298.11970 173.8
[M+NH4]+ 317.16080 180.7
[M+K]+ 338.09014 172.2
[M+H-H2O]+ 282.12424 158.7
[M+HCOO]- 344.12518 189.6
[M+CH3COO]- 358.14083 207.4
[M+Na-2H]- 320.10165 172.6
[M]+ 299.12643 171.1
[M]- 299.12753 171.1
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.