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]+ 269.105146 160.2
[M+Na]+ 291.087088 167.3
[M-H]- 267.090594 162.3
[M+NH4]+ 286.131693 174.2
[M+K]+ 307.061028 162.3
[M+H-H2O]+ 251.095130 152.4
[M+HCOO]- 313.096071 171.4
[M+CH3COO]- 327.111721 193.5
[M+Na-2H]- 289.072536 161.6
[M]+ 268.09732142 158.5
[M]- 268.09841858 158.5
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.