CID 47738

Vufb-8784

Structural Information

Molecular Formula
C25H35N3O5
SMILES
CC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)COC3=CC(=C(C(=C3)OC)OC)OC
InChI
InChI=1S/C25H35N3O5/c1-19-8-5-6-9-21(19)28-14-12-27(13-15-28)11-7-10-26-24(29)18-33-20-16-22(30-2)25(32-4)23(17-20)31-3/h5-6,8-9,16-17H,7,10-15,18H2,1-4H3,(H,26,29)
InChIKey
MRPNNBFPGPKCKH-UHFFFAOYSA-N
Compound name
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]-2-(3,4,5-trimethoxyphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.25766 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.26494 213.5
[M+Na]+ 480.24688 216.1
[M-H]- 456.25038 219.1
[M+NH4]+ 475.29148 218.5
[M+K]+ 496.22082 212.8
[M+H-H2O]+ 440.25492 200.9
[M+HCOO]- 502.25586 229.3
[M+CH3COO]- 516.27151 237.8
[M+Na-2H]- 478.23233 211.5
[M]+ 457.25711 217.1
[M]- 457.25821 217.1
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.