CID 3061346

Brn 4578673

Structural Information

Molecular Formula
C24H30N2O4
SMILES
CCC(=O)C1=CC(=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)C(=O)C
InChI
InChI=1S/C24H30N2O4/c1-3-23(29)19-9-10-24(22(15-19)18(2)27)30-17-21(28)16-25-11-13-26(14-12-25)20-7-5-4-6-8-20/h4-10,15,21,28H,3,11-14,16-17H2,1-2H3
InChIKey
FIMGHYQSLDKORU-UHFFFAOYSA-N
Compound name
1-[3-acetyl-4-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22055 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.22783 200.7
[M+Na]+ 433.20977 202.3
[M-H]- 409.21327 204.6
[M+NH4]+ 428.25437 206.4
[M+K]+ 449.18371 198.0
[M+H-H2O]+ 393.21781 189.3
[M+HCOO]- 455.21875 212.4
[M+CH3COO]- 469.23440 224.5
[M+Na-2H]- 431.19522 197.2
[M]+ 410.22000 198.9
[M]- 410.22110 198.9
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.