CID 3050699

1-piperazineacetamide, n-(3,5-dimethoxyphenyl)-4-(2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl)-, dihydrochloride

Structural Information

Molecular Formula
C25H33N3O7
SMILES
COC1=CC(=CC(=C1)NC(=O)CN2CCN(CC2)CC(=O)C3=C(C=C(C=C3OC)OC)OC)OC
InChI
InChI=1S/C25H33N3O7/c1-31-18-10-17(11-19(12-18)32-2)26-24(30)16-28-8-6-27(7-9-28)15-21(29)25-22(34-4)13-20(33-3)14-23(25)35-5/h10-14H,6-9,15-16H2,1-5H3,(H,26,30)
InChIKey
FIJMCNKZRKBQPK-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-2-[4-[2-oxo-2-(2,4,6-trimethoxyphenyl)ethyl]piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.23184 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.23912 216.4
[M+Na]+ 510.22106 219.3
[M-H]- 486.22456 222.5
[M+NH4]+ 505.26566 219.9
[M+K]+ 526.19500 217.8
[M+H-H2O]+ 470.22910 204.0
[M+HCOO]- 532.23004 231.7
[M+CH3COO]- 546.24569 243.9
[M+Na-2H]- 508.20651 213.2
[M]+ 487.23129 222.0
[M]- 487.23239 222.0
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.