CID 120605

1877-55-0

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CN1CCN(CC1)CC(=O)OC2=C(C=CC=C2OC)OC
InChI
InChI=1S/C15H22N2O4/c1-16-7-9-17(10-8-16)11-14(18)21-15-12(19-2)5-4-6-13(15)20-3/h4-6H,7-11H2,1-3H3
InChIKey
KBTHHXLERLQZRC-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 169.3
[M+Na]+ 317.14718 180.6
[M+NH4]+ 312.19178 175.1
[M+K]+ 333.12112 175.3
[M-H]- 293.15068 170.7
[M+Na-2H]- 315.13263 174.1
[M]+ 294.15741 171.0
[M]- 294.15851 171.0
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.