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]+ 264.170676 163.8
[M+Na]+ 286.152618 169.2
[M-H]- 262.156124 165.4
[M+NH4]+ 281.197223 176.0
[M+K]+ 302.126558 166.3
[M+H-H2O]+ 246.160660 153.8
[M+HCOO]- 308.161601 179.4
[M+CH3COO]- 322.177251 196.9
[M+Na-2H]- 284.138066 166.3
[M]+ 263.16285142 162.3
[M]- 263.16394858 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.