CID 2762250

885274-66-8

Structural Information

Molecular Formula
C19H28N2O6
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C(C2=CC(=C(C=C2)OC)OC)C(=O)O
InChI
InChI=1S/C19H28N2O6/c1-19(2,3)27-18(24)21-10-8-20(9-11-21)16(17(22)23)13-6-7-14(25-4)15(12-13)26-5/h6-7,12,16H,8-11H2,1-5H3,(H,22,23)
InChIKey
KYPLTDWTMVRRAD-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

161
Patents

380.19473 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20201 188.0
[M+Na]+ 403.18395 196.0
[M+NH4]+ 398.22855 190.9
[M+K]+ 419.15789 194.3
[M-H]- 379.18745 186.5
[M+Na-2H]- 401.16940 189.9
[M]+ 380.19418 188.2
[M]- 380.19528 188.2
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

patents stripe