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 184.2
[M+Na]+ 359.18606 189.6
[M-H]- 335.18956 186.9
[M+NH4]+ 354.23066 196.3
[M+K]+ 375.16000 184.0
[M+H-H2O]+ 319.19410 175.6
[M+HCOO]- 381.19504 193.0
[M+CH3COO]- 395.21069 211.5
[M+Na-2H]- 357.17151 183.6
[M]+ 336.19629 184.4
[M]- 336.19739 184.4
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.