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]+ 300.134256 169.0
[M+Na]+ 322.116198 173.5
[M-H]- 298.119704 173.8
[M+NH4]+ 317.160803 180.7
[M+K]+ 338.090138 172.2
[M+H-H2O]+ 282.124240 158.7
[M+HCOO]- 344.125181 189.6
[M+CH3COO]- 358.140831 207.4
[M+Na-2H]- 320.101646 172.6
[M]+ 299.12643142 171.1
[M]- 299.12752858 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.