CID 28394516

1235438-79-5

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CCN1CCN(CC1)C(=O)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C13H17ClN2O2/c1-2-15-5-7-16(8-6-15)13(18)11-9-10(14)3-4-12(11)17/h3-4,9,17H,2,5-8H2,1H3
InChIKey
JDKLAHYCHMDMPJ-UHFFFAOYSA-N
Compound name
(5-chloro-2-hydroxyphenyl)-(4-ethylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 160.1
[M+Na]+ 291.08709 173.2
[M+NH4]+ 286.13169 167.4
[M+K]+ 307.06103 166.6
[M-H]- 267.09059 162.2
[M+Na-2H]- 289.07254 165.9
[M]+ 268.09732 162.7
[M]- 268.09842 162.7
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.