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]+ 370.212506 189.4
[M+Na]+ 392.194448 190.9
[M-H]- 368.197954 193.4
[M+NH4]+ 387.239053 196.6
[M+K]+ 408.168388 186.4
[M+H-H2O]+ 352.202490 178.0
[M+HCOO]- 414.203431 203.9
[M+CH3COO]- 428.219081 216.6
[M+Na-2H]- 390.179896 189.9
[M]+ 369.20468142 185.3
[M]- 369.20577858 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.