CID 213311

Brn 0844014

Structural Information

Molecular Formula
C24H32N2O2
SMILES
CCCCCOC1=CC=C(C=C1)C(=O)CCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C24H32N2O2/c1-2-3-7-20-28-23-12-10-21(11-13-23)24(27)14-15-25-16-18-26(19-17-25)22-8-5-4-6-9-22/h4-6,8-13H,2-3,7,14-20H2,1H3
InChIKey
CSWCVZZTNKJHDA-UHFFFAOYSA-N
Compound name
1-(4-pentoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24637 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25365 197.0
[M+Na]+ 403.23559 198.9
[M-H]- 379.23909 201.6
[M+NH4]+ 398.28019 204.8
[M+K]+ 419.20953 193.2
[M+H-H2O]+ 363.24363 184.7
[M+HCOO]- 425.24457 211.6
[M+CH3COO]- 439.26022 220.3
[M+Na-2H]- 401.22104 196.5
[M]+ 380.24582 195.5
[M]- 380.24692 195.5
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.