CID 47790

Brn 0855649

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]+ 397.24858 199.9
[M+Na]+ 419.23052 201.4
[M-H]- 395.23402 204.7
[M+NH4]+ 414.27512 207.0
[M+K]+ 435.20446 197.0
[M+H-H2O]+ 379.23856 187.7
[M+HCOO]- 441.23950 213.8
[M+CH3COO]- 455.25515 222.6
[M+Na-2H]- 417.21597 198.4
[M]+ 396.24075 199.2
[M]- 396.24185 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.