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]+ 374.16298 189.4
[M+Na]+ 396.14492 194.0
[M-H]- 372.14842 194.9
[M+NH4]+ 391.18952 198.6
[M+K]+ 412.11886 187.7
[M+H-H2O]+ 356.15296 178.3
[M+HCOO]- 418.15390 201.9
[M+CH3COO]- 432.16955 217.7
[M+Na-2H]- 394.13037 190.5
[M]+ 373.15515 188.7
[M]- 373.15625 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.