CID 215717

Brn 0583794

Structural Information

Molecular Formula
C23H30N2O4
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC(=CC=C3)OC)O
InChI
InChI=1S/C23H30N2O4/c1-3-23(27)18-7-9-21(10-8-18)29-17-20(26)16-24-11-13-25(14-12-24)19-5-4-6-22(15-19)28-2/h4-10,15,20,26H,3,11-14,16-17H2,1-2H3
InChIKey
IRQWXYVDVWWVGM-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.22055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.22783 198.1
[M+Na]+ 421.20977 200.2
[M-H]- 397.21327 202.0
[M+NH4]+ 416.25437 204.5
[M+K]+ 437.18371 196.0
[M+H-H2O]+ 381.21781 186.5
[M+HCOO]- 443.21875 210.9
[M+CH3COO]- 457.23440 221.3
[M+Na-2H]- 419.19522 196.2
[M]+ 398.22000 197.1
[M]- 398.22110 197.1
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.