CID 6914252

Acetophenone, 3'-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, hydrochloride, oxime

Structural Information

Molecular Formula
C21H27N3O3
SMILES
C/C(=N/O)/C1=CC(=CC=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O
InChI
InChI=1S/C21H27N3O3/c1-17(22-26)18-6-5-9-21(14-18)27-16-20(25)15-23-10-12-24(13-11-23)19-7-3-2-4-8-19/h2-9,14,20,25-26H,10-13,15-16H2,1H3/b22-17-
InChIKey
YBRZKPVTDONBOC-XLNRJJMWSA-N
Compound name
1-[3-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20523 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 189.4
[M+Na]+ 392.19445 190.9
[M-H]- 368.19795 193.4
[M+NH4]+ 387.23905 196.6
[M+K]+ 408.16839 186.4
[M+H-H2O]+ 352.20249 178.0
[M+HCOO]- 414.20343 203.9
[M+CH3COO]- 428.21908 216.6
[M+Na-2H]- 390.17990 189.9
[M]+ 369.20468 185.3
[M]- 369.20578 185.3
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.