CID 3075973

129477-58-3

Structural Information

Molecular Formula
C27H34N2O10
SMILES
CCOC(=O)C1CN(CCN1C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C27H34N2O10/c1-8-39-27(32)18-15-28(25(30)16-11-19(33-2)23(37-6)20(12-16)34-3)9-10-29(18)26(31)17-13-21(35-4)24(38-7)22(14-17)36-5/h11-14,18H,8-10,15H2,1-7H3
InChIKey
BPZOLCZBCCYTOD-UHFFFAOYSA-N
Compound name
ethyl 1,4-bis(3,4,5-trimethoxybenzoyl)piperazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

546.2214 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.228676 224.5
[M+Na]+ 569.210618 228.3
[M-H]- 545.214124 231.1
[M+NH4]+ 564.255223 226.1
[M+K]+ 585.184558 229.5
[M+H-H2O]+ 529.218660 212.5
[M+HCOO]- 591.219601 237.7
[M+CH3COO]- 605.235251 252.8
[M+Na-2H]- 567.196066 218.4
[M]+ 546.22085142 235.2
[M]- 546.22194858 235.2
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