CID 3050219

Brn 0844450

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CCCC(=O)C1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-2-7-23(26)20-10-12-22(13-11-20)27-19-6-14-24-15-17-25(18-16-24)21-8-4-3-5-9-21/h3-5,8-13H,2,6-7,14-19H2,1H3
InChIKey
WRDMKJBTIIZIKV-UHFFFAOYSA-N
Compound name
1-[4-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.23802 192.7
[M+Na]+ 389.21996 195.0
[M-H]- 365.22346 197.4
[M+NH4]+ 384.26456 201.1
[M+K]+ 405.19390 189.5
[M+H-H2O]+ 349.22800 180.6
[M+HCOO]- 411.22894 207.7
[M+CH3COO]- 425.24459 217.4
[M+Na-2H]- 387.20541 192.7
[M]+ 366.23019 190.8
[M]- 366.23129 190.8
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.