CID 71300227

1407532-82-4

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 163.6
[M+Na]+ 286.15262 175.5
[M+NH4]+ 281.19722 169.9
[M+K]+ 302.12656 169.3
[M-H]- 262.15612 165.2
[M+Na-2H]- 284.13807 169.3
[M]+ 263.16285 165.5
[M]- 263.16395 165.5
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.