CID 3056179

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

Structural Information

Molecular Formula
C28H34N6O10
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN(C(=O)O2)CN3CCN(CC3)CN4C(=O)OC(=N4)C5=CC(=C(C(=C5)OC)OC)OC
InChI
InChI=1S/C28H34N6O10/c1-37-19-11-17(12-20(38-2)23(19)41-5)25-29-33(27(35)43-25)15-31-7-9-32(10-8-31)16-34-28(36)44-26(30-34)18-13-21(39-3)24(42-6)22(14-18)40-4/h11-14H,7-10,15-16H2,1-6H3
InChIKey
AZNSQCZPYZKKMR-UHFFFAOYSA-N
Compound name
3-[[4-[[2-oxo-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-3-yl]methyl]piperazin-1-yl]methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

614.23364 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 615.24092 244.7
[M+Na]+ 637.22286 258.6
[M+NH4]+ 632.26746 244.2
[M+K]+ 653.19680 260.0
[M-H]- 613.22636 250.4
[M+Na-2H]- 635.20831 248.1
[M]+ 614.23309 248.0
[M]- 614.23419 248.0
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

No patent data available for this compound.