CID 13222039

Brn 5616598

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CC(C)(COC(=O)C1=CN=CC=C1)N(CC2=CC=CC=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C23H23N3O3/c1-23(2,17-29-22(28)20-11-7-13-25-15-20)26(16-18-8-4-3-5-9-18)21(27)19-10-6-12-24-14-19/h3-15H,16-17H2,1-2H3
InChIKey
CFQCPFALHPZURX-UHFFFAOYSA-N
Compound name
[2-[benzyl(pyridine-3-carbonyl)amino]-2-methylpropyl] pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.17395 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 194.0
[M+Na]+ 412.16317 197.1
[M-H]- 388.16667 201.2
[M+NH4]+ 407.20777 201.3
[M+K]+ 428.13711 193.6
[M+H-H2O]+ 372.17121 182.0
[M+HCOO]- 434.17215 212.6
[M+CH3COO]- 448.18780 223.5
[M+Na-2H]- 410.14862 198.6
[M]+ 389.17340 195.6
[M]- 389.17450 195.6
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.