CID 3052991

Brn 5599383

Structural Information

Molecular Formula
C18H21N3O3
SMILES
CC(C)N(CC(C)OC(=O)C1=CN=CC=C1)C(=O)C2=CN=CC=C2
InChI
InChI=1S/C18H21N3O3/c1-13(2)21(17(22)15-6-4-8-19-10-15)12-14(3)24-18(23)16-7-5-9-20-11-16/h4-11,13-14H,12H2,1-3H3
InChIKey
ZMRWHFIYVWSASP-UHFFFAOYSA-N
Compound name
1-[propan-2-yl(pyridine-3-carbonyl)amino]propan-2-yl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1583 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.16558 175.6
[M+Na]+ 350.14752 186.4
[M+NH4]+ 345.19212 180.8
[M+K]+ 366.12146 182.1
[M-H]- 326.15102 177.6
[M+Na-2H]- 348.13297 182.6
[M]+ 327.15775 177.4
[M]- 327.15885 177.4
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.