CID 3087213

1-piperazineacetic acid, 4-((2,3,4-trimethoxyphenyl)methyl)-, 4-methoxyphenyl ester, dihydrochloride

Structural Information

Molecular Formula
C23H30N2O6
SMILES
COC1=CC=C(C=C1)OC(=O)CN2CCN(CC2)CC3=C(C(=C(C=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O6/c1-27-18-6-8-19(9-7-18)31-21(26)16-25-13-11-24(12-14-25)15-17-5-10-20(28-2)23(30-4)22(17)29-3/h5-10H,11-16H2,1-4H3
InChIKey
NHMZTYUKEDYDPZ-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl) 2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

430.2104 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.21768 204.0
[M+Na]+ 453.19962 208.3
[M-H]- 429.20312 210.1
[M+NH4]+ 448.24422 210.3
[M+K]+ 469.17356 206.0
[M+H-H2O]+ 413.20766 191.8
[M+HCOO]- 475.20860 219.6
[M+CH3COO]- 489.22425 229.0
[M+Na-2H]- 451.18507 202.4
[M]+ 430.20985 209.0
[M]- 430.21095 209.0
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

patents stripe