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 240.0
[M+Na]+ 637.22286 248.1
[M-H]- 613.22636 252.0
[M+NH4]+ 632.26746 234.3
[M+K]+ 653.19680 247.6
[M+H-H2O]+ 597.23090 226.9
[M+HCOO]- 659.23184 252.7
[M+CH3COO]- 673.24749 262.3
[M+Na-2H]- 635.20831 232.9
[M]+ 614.23309 254.0
[M]- 614.23419 254.0
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.