CID 3051922

1,4-piperazinediacetamide, n,n'-bis(3,4,5-trimethoxyphenyl)-, dihydrochloride

Structural Information

Molecular Formula
C26H36N4O8
SMILES
COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCN(CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C26H36N4O8/c1-33-19-11-17(12-20(34-2)25(19)37-5)27-23(31)15-29-7-9-30(10-8-29)16-24(32)28-18-13-21(35-3)26(38-6)22(14-18)36-4/h11-14H,7-10,15-16H2,1-6H3,(H,27,31)(H,28,32)
InChIKey
FOPHBEIBABJJAL-UHFFFAOYSA-N
Compound name
2-[4-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.2533 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.26058 225.9
[M+Na]+ 555.24252 228.0
[M-H]- 531.24602 232.2
[M+NH4]+ 550.28712 227.5
[M+K]+ 571.21646 227.7
[M+H-H2O]+ 515.25056 213.1
[M+HCOO]- 577.25150 242.0
[M+CH3COO]- 591.26715 255.3
[M+Na-2H]- 553.22797 222.8
[M]+ 532.25275 233.0
[M]- 532.25385 233.0
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.