CID 208682

32808-66-5

Structural Information

Molecular Formula
C19H29ClN2O
SMILES
CC(C)(C)C1=C(C=C(C=C1)CCCC(=O)N2CCN(CC2)C)Cl
InChI
InChI=1S/C19H29ClN2O/c1-19(2,3)16-9-8-15(14-17(16)20)6-5-7-18(23)22-12-10-21(4)11-13-22/h8-9,14H,5-7,10-13H2,1-4H3
InChIKey
ANBZNKWMGKVRPV-UHFFFAOYSA-N
Compound name
4-(4-tert-butyl-3-chlorophenyl)-1-(4-methylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.19684 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.20412 183.9
[M+Na]+ 359.18606 196.5
[M+NH4]+ 354.23066 191.0
[M+K]+ 375.16000 188.8
[M-H]- 335.18956 186.2
[M+Na-2H]- 357.17151 189.2
[M]+ 336.19629 186.7
[M]- 336.19739 186.7
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.