CID 3052986

Brn 5613423

Structural Information

Molecular Formula
C20H23N3O3
SMILES
C1CCC(CC1)N(CCOC(=O)C2=CN=CC=C2)C(=O)C3=CN=CC=C3
InChI
InChI=1S/C20H23N3O3/c24-19(16-6-4-10-21-14-16)23(18-8-2-1-3-9-18)12-13-26-20(25)17-7-5-11-22-15-17/h4-7,10-11,14-15,18H,1-3,8-9,12-13H2
InChIKey
FPDOJSOCWAMTLN-UHFFFAOYSA-N
Compound name
2-[cyclohexyl(pyridine-3-carbonyl)amino]ethyl pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.17395 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 183.6
[M+Na]+ 376.16317 184.5
[M-H]- 352.16667 189.7
[M+NH4]+ 371.20777 192.0
[M+K]+ 392.13711 181.8
[M+H-H2O]+ 336.17121 171.4
[M+HCOO]- 398.17215 200.6
[M+CH3COO]- 412.18780 215.5
[M+Na-2H]- 374.14862 185.7
[M]+ 353.17340 180.5
[M]- 353.17450 180.5
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.