CID 71300227

Ethyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate

Structural Information

Molecular Formula
C14H21N3O2
SMILES
CCOC(=O)C1=NC=C(C=C1)CN2CCN(CC2)C
InChI
InChI=1S/C14H21N3O2/c1-3-19-14(18)13-5-4-12(10-15-13)11-17-8-6-16(2)7-9-17/h4-5,10H,3,6-9,11H2,1-2H3
InChIKey
CWQIPXOVFSXMFR-UHFFFAOYSA-N
Compound name
ethyl 5-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.1634 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17068 163.8
[M+Na]+ 286.15262 169.2
[M-H]- 262.15612 165.4
[M+NH4]+ 281.19722 176.0
[M+K]+ 302.12656 166.3
[M+H-H2O]+ 246.16066 153.8
[M+HCOO]- 308.16160 179.4
[M+CH3COO]- 322.17725 196.9
[M+Na-2H]- 284.13807 166.3
[M]+ 263.16285 162.3
[M]- 263.16395 162.3
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.