CID 118279

Brn 0579559

Structural Information

Molecular Formula
C23H30N2O3
SMILES
CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(C(C2)C)C3=CC=CC=C3)O
InChI
InChI=1S/C23H30N2O3/c1-3-23(27)19-9-11-22(12-10-19)28-17-21(26)16-24-13-14-25(18(2)15-24)20-7-5-4-6-8-20/h4-12,18,21,26H,3,13-17H2,1-2H3
InChIKey
HIHJBUYHDXQAJN-UHFFFAOYSA-N
Compound name
1-[4-[2-hydroxy-3-(3-methyl-4-phenylpiperazin-1-yl)propoxy]phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.22565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.232926 195.5
[M+Na]+ 405.214868 197.8
[M-H]- 381.218374 199.5
[M+NH4]+ 400.259473 202.7
[M+K]+ 421.188808 192.9
[M+H-H2O]+ 365.222910 184.1
[M+HCOO]- 427.223851 208.2
[M+CH3COO]- 441.239501 219.2
[M+Na-2H]- 403.200316 193.4
[M]+ 382.22510142 193.1
[M]- 382.22619858 193.1
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.