CID 193017

Propiophenone, 3-(4-(o-methoxyphenyl)piperazinyl)-3',4',5'-trimethoxy-, hydrobromide

Structural Information

Molecular Formula
C23H30N2O5
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C23H30N2O5/c1-27-20-8-6-5-7-18(20)25-13-11-24(12-14-25)10-9-19(26)17-15-21(28-2)23(30-4)22(16-17)29-3/h5-8,15-16H,9-14H2,1-4H3
InChIKey
LXUVIKVZDDVUIU-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.21548 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.22276 201.4
[M+Na]+ 437.20470 205.9
[M-H]- 413.20820 207.5
[M+NH4]+ 432.24930 208.5
[M+K]+ 453.17864 202.9
[M+H-H2O]+ 397.21274 189.5
[M+HCOO]- 459.21368 216.9
[M+CH3COO]- 473.22933 227.4
[M+Na-2H]- 435.19015 199.7
[M]+ 414.21493 205.1
[M]- 414.21603 205.1
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.