CID 47790

1-(p-alpha-acetoxypropylphenoxy)-3-(n-phenylpiperazinyl)propane

Structural Information

Molecular Formula
C24H32N2O3
SMILES
CCC(C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C24H32N2O3/c1-3-24(29-20(2)27)21-10-12-23(13-11-21)28-19-7-14-25-15-17-26(18-16-25)22-8-5-4-6-9-22/h4-6,8-13,24H,3,7,14-19H2,1-2H3
InChIKey
WGJQTZYZKRTAFF-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2413 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.248576 199.9
[M+Na]+ 419.230518 201.4
[M-H]- 395.234024 204.7
[M+NH4]+ 414.275123 207.0
[M+K]+ 435.204458 197.0
[M+H-H2O]+ 379.238560 187.7
[M+HCOO]- 441.239501 213.8
[M+CH3COO]- 455.255151 222.6
[M+Na-2H]- 417.215966 198.4
[M]+ 396.24075142 199.2
[M]- 396.24184858 199.2
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.