CID 64905

Piperazine, 1-((3,5-dimethoxy-4-hydroxy)dihydrocinnamoyl)-4-morpholinocarbonylmethyl-, maleate

Structural Information

Molecular Formula
C21H31N3O6
SMILES
COC1=CC(=CC(=C1O)OC)CCC(=O)N2CCN(CC2)CC(=O)N3CCOCC3
InChI
InChI=1S/C21H31N3O6/c1-28-17-13-16(14-18(29-2)21(17)27)3-4-19(25)23-7-5-22(6-8-23)15-20(26)24-9-11-30-12-10-24/h13-14,27H,3-12,15H2,1-2H3
InChIKey
ZNLPEQGMUXBMRD-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3,5-dimethoxyphenyl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.22128 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.22856 202.7
[M+Na]+ 444.21050 203.9
[M-H]- 420.21400 205.6
[M+NH4]+ 439.25510 205.5
[M+K]+ 460.18444 202.3
[M+H-H2O]+ 404.21854 190.7
[M+HCOO]- 466.21948 210.2
[M+CH3COO]- 480.23513 223.7
[M+Na-2H]- 442.19595 199.0
[M]+ 421.22073 200.5
[M]- 421.22183 200.5
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.