CID 209322

1-(p-chlorobenzoyl)-4-isobutylpiperazine hydrochloride

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
CC(C)CN1CCN(CC1)C(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H21ClN2O/c1-12(2)11-17-7-9-18(10-8-17)15(19)13-3-5-14(16)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKey
RXPIWBTWEZNNAU-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.141526 165.5
[M+Na]+ 303.123468 171.0
[M-H]- 279.126974 168.3
[M+NH4]+ 298.168073 179.3
[M+K]+ 319.097408 166.3
[M+H-H2O]+ 263.131510 157.0
[M+HCOO]- 325.132451 176.3
[M+CH3COO]- 339.148101 199.6
[M+Na-2H]- 301.108916 165.8
[M]+ 280.13370142 163.9
[M]- 280.13479858 163.9
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.