CID 113756

2-propanol, 1-(4-phenylpiperazinyl)-3-(2-propionylnaphthyloxy)-, dihydrochloride

Structural Information

Molecular Formula
C26H30N2O3
SMILES
CCC(=O)C1=C(C2=CC=CC=C2C=C1)OCC(CN3CCN(CC3)C4=CC=CC=C4)O
InChI
InChI=1S/C26H30N2O3/c1-2-25(30)24-13-12-20-8-6-7-11-23(20)26(24)31-19-22(29)18-27-14-16-28(17-15-27)21-9-4-3-5-10-21/h3-13,22,29H,2,14-19H2,1H3
InChIKey
XEJSLTXTVHMERI-UHFFFAOYSA-N
Compound name
1-[1-[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]naphthalen-2-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.22565 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23293 204.0
[M+Na]+ 441.21487 206.1
[M-H]- 417.21837 208.4
[M+NH4]+ 436.25947 210.3
[M+K]+ 457.18881 200.0
[M+H-H2O]+ 401.22291 191.7
[M+HCOO]- 463.22385 215.1
[M+CH3COO]- 477.23950 209.8
[M+Na-2H]- 439.20032 203.4
[M]+ 418.22510 201.1
[M]- 418.22620 201.1
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.