CID 200519

Fc 654

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]+ 309.180876 172.9
[M+Na]+ 331.162818 177.8
[M-H]- 307.166324 176.1
[M+NH4]+ 326.207423 184.8
[M+K]+ 347.136758 176.5
[M+H-H2O]+ 291.170860 163.5
[M+HCOO]- 353.171801 188.6
[M+CH3COO]- 367.187451 206.4
[M+Na-2H]- 329.148266 172.7
[M]+ 308.17305142 174.3
[M]- 308.17414858 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.