CID 3056181

1,3,4-oxadiazol-2(3h)-one, 3,3'-(1,4-piperazinediylbis(methylene))bis(5-(4-ethoxy-3,5-dimethoxyphenyl)-

Structural Information

Molecular Formula
C30H38N6O10
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN(C(=O)O2)CN3CCN(CC3)CN4C(=O)OC(=N4)C5=CC(=C(C(=C5)OC)OCC)OC)OC
InChI
InChI=1S/C30H38N6O10/c1-7-43-25-21(39-3)13-19(14-22(25)40-4)27-31-35(29(37)45-27)17-33-9-11-34(12-10-33)18-36-30(38)46-28(32-36)20-15-23(41-5)26(44-8-2)24(16-20)42-6/h13-16H,7-12,17-18H2,1-6H3
InChIKey
QGWBTOLUTXMINA-UHFFFAOYSA-N
Compound name
5-(4-ethoxy-3,5-dimethoxyphenyl)-3-[[4-[[5-(4-ethoxy-3,5-dimethoxyphenyl)-2-oxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

642.26495 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 643.27223 247.6
[M+Na]+ 665.25417 254.7
[M-H]- 641.25767 259.2
[M+NH4]+ 660.29877 240.8
[M+K]+ 681.22811 254.0
[M+H-H2O]+ 625.26221 234.2
[M+HCOO]- 687.26315 259.6
[M+CH3COO]- 701.27880 267.4
[M+Na-2H]- 663.23962 239.7
[M]+ 642.26440 262.2
[M]- 642.26550 262.2
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

No patent data available for this compound.