CID 43792737

1-{4-[(3-acetyl-5-chloro-2-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one

Structural Information

Molecular Formula
C15H19ClN2O3
SMILES
CC(=O)C1=CC(=CC(=C1O)CN2CCN(CC2)C(=O)C)Cl
InChI
InChI=1S/C15H19ClN2O3/c1-10(19)14-8-13(16)7-12(15(14)21)9-17-3-5-18(6-4-17)11(2)20/h7-8,21H,3-6,9H2,1-2H3
InChIKey
IYFDKERIFJQVLO-UHFFFAOYSA-N
Compound name
1-[3-[(4-acetylpiperazin-1-yl)methyl]-5-chloro-2-hydroxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10843 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11571 169.6
[M+Na]+ 333.09765 176.6
[M-H]- 309.10115 171.9
[M+NH4]+ 328.14225 181.9
[M+K]+ 349.07159 171.9
[M+H-H2O]+ 293.10569 161.9
[M+HCOO]- 355.10663 179.6
[M+CH3COO]- 369.12228 203.0
[M+Na-2H]- 331.08310 168.3
[M]+ 310.10788 169.3
[M]- 310.10898 169.3
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.