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]+ 354.181226 183.6
[M+Na]+ 376.163168 184.5
[M-H]- 352.166674 189.7
[M+NH4]+ 371.207773 192.0
[M+K]+ 392.137108 181.8
[M+H-H2O]+ 336.171210 171.4
[M+HCOO]- 398.172151 200.6
[M+CH3COO]- 412.187801 215.5
[M+Na-2H]- 374.148616 185.7
[M]+ 353.17340142 180.5
[M]- 353.17449858 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.