CID 200519

2192-22-5

Structural Information

Molecular Formula
C16H24N2O4
SMILES
CC(C(=O)OC1=C(C=CC=C1OC)OC)N2CCN(CC2)C
InChI
InChI=1S/C16H24N2O4/c1-12(18-10-8-17(2)9-11-18)16(19)22-15-13(20-3)6-5-7-14(15)21-4/h5-7,12H,8-11H2,1-4H3
InChIKey
WJLXXGPFMPKHOV-UHFFFAOYSA-N
Compound name
(2,6-dimethoxyphenyl) 2-(4-methylpiperazin-1-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 172.9
[M+Na]+ 331.16282 177.8
[M-H]- 307.16632 176.1
[M+NH4]+ 326.20742 184.8
[M+K]+ 347.13676 176.5
[M+H-H2O]+ 291.17086 163.5
[M+HCOO]- 353.17180 188.6
[M+CH3COO]- 367.18745 206.4
[M+Na-2H]- 329.14827 172.7
[M]+ 308.17305 174.3
[M]- 308.17415 174.3
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.