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 168.8
[M+Na]+ 317.14718 174.4
[M-H]- 293.15068 172.1
[M+NH4]+ 312.19178 181.3
[M+K]+ 333.12112 172.8
[M+H-H2O]+ 277.15522 159.4
[M+HCOO]- 339.15616 185.9
[M+CH3COO]- 353.17181 202.5
[M+Na-2H]- 315.13263 170.2
[M]+ 294.15741 170.5
[M]- 294.15851 170.5
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.