CID 208675

32808-60-9

Structural Information

Molecular Formula
C18H27ClN2O
SMILES
CC(C)C1=C(C=C(C=C1)CCCC(=O)N2CCN(CC2)C)Cl
InChI
InChI=1S/C18H27ClN2O/c1-14(2)16-8-7-15(13-17(16)19)5-4-6-18(22)21-11-9-20(3)10-12-21/h7-8,13-14H,4-6,9-12H2,1-3H3
InChIKey
STVFWUDESBUTFY-UHFFFAOYSA-N
Compound name
4-(3-chloro-4-propan-2-ylphenyl)-1-(4-methylpiperazin-1-yl)butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.18118 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.18846 178.8
[M+Na]+ 345.17040 183.9
[M-H]- 321.17390 181.4
[M+NH4]+ 340.21500 191.2
[M+K]+ 361.14434 178.6
[M+H-H2O]+ 305.17844 170.0
[M+HCOO]- 367.17938 188.6
[M+CH3COO]- 381.19503 209.7
[M+Na-2H]- 343.15585 176.8
[M]+ 322.18063 178.7
[M]- 322.18173 178.7
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.