CID 6435159

72004-06-9

Structural Information

Molecular Formula
C25H32N2O5
SMILES
CC(CN1CCN(CC1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC)(C3=CC=CC=C3)O
InChI
InChI=1S/C25H32N2O5/c1-25(29,20-8-6-5-7-9-20)18-26-12-14-27(15-13-26)23(28)11-10-19-16-21(30-2)24(32-4)22(17-19)31-3/h5-11,16-17,29H,12-15,18H2,1-4H3/b11-10+
InChIKey
RFXHFTYOYOEWBL-ZHACJKMWSA-N
Compound name
(E)-1-[4-(2-hydroxy-2-phenylpropyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.2311 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.23838 209.5
[M+Na]+ 463.22032 212.5
[M-H]- 439.22382 213.9
[M+NH4]+ 458.26492 214.6
[M+K]+ 479.19426 208.3
[M+H-H2O]+ 423.22836 198.2
[M+HCOO]- 485.22930 221.4
[M+CH3COO]- 499.24495 228.3
[M+Na-2H]- 461.20577 208.2
[M]+ 440.23055 210.4
[M]- 440.23165 210.4
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.