CID 3058626

75449-62-6

Structural Information

Molecular Formula
C20H24ClN3O2
SMILES
CN1CCCCC1CCOC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN3O2/c1-24-13-3-2-5-17(24)11-14-26-20(25)18-6-4-12-22-19(18)23-16-9-7-15(21)8-10-16/h4,6-10,12,17H,2-3,5,11,13-14H2,1H3,(H,22,23)
InChIKey
SPXFBQYYQXTVLT-UHFFFAOYSA-N
Compound name
2-(1-methylpiperidin-2-yl)ethyl 2-(4-chloroanilino)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.1557 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.162976 189.4
[M+Na]+ 396.144918 194.0
[M-H]- 372.148424 194.9
[M+NH4]+ 391.189523 198.6
[M+K]+ 412.118858 187.7
[M+H-H2O]+ 356.152960 178.3
[M+HCOO]- 418.153901 201.9
[M+CH3COO]- 432.169551 217.7
[M+Na-2H]- 394.130366 190.5
[M]+ 373.15515142 188.7
[M]- 373.15624858 188.7
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.