CID 21404567

1-[2-(4-methylpiperazin-1-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H18N2O
SMILES
CC(=O)C1=CC=CC=C1N2CCN(CC2)C
InChI
InChI=1S/C13H18N2O/c1-11(16)12-5-3-4-6-13(12)15-9-7-14(2)8-10-15/h3-6H,7-10H2,1-2H3
InChIKey
CQBURUJINHGLAC-UHFFFAOYSA-N
Compound name
1-[2-(4-methylpiperazin-1-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

218.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.149176 151.0
[M+Na]+ 241.131118 156.9
[M-H]- 217.134624 154.3
[M+NH4]+ 236.175723 166.5
[M+K]+ 257.105058 153.9
[M+H-H2O]+ 201.139160 142.3
[M+HCOO]- 263.140101 168.2
[M+CH3COO]- 277.155751 189.7
[M+Na-2H]- 239.116566 154.0
[M]+ 218.14135142 147.3
[M]- 218.14244858 147.3
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

patents stripe