CID 210442

21263-10-5

Structural Information

Molecular Formula
C24H34N2O2S
SMILES
CC(CN1CCN(CC1)C(CC2=CC=CC=C2)OC(C)(C)C)C(=O)C3=CC=CS3
InChI
InChI=1S/C24H34N2O2S/c1-19(23(27)21-11-8-16-29-21)18-25-12-14-26(15-13-25)22(28-24(2,3)4)17-20-9-6-5-7-10-20/h5-11,16,19,22H,12-15,17-18H2,1-4H3
InChIKey
CHDAVYDDSOPJPB-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]-1-thiophen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.2341 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.24138 203.4
[M+Na]+ 437.22332 204.8
[M-H]- 413.22682 208.8
[M+NH4]+ 432.26792 212.7
[M+K]+ 453.19726 200.7
[M+H-H2O]+ 397.23136 194.0
[M+HCOO]- 459.23230 210.9
[M+CH3COO]- 473.24795 223.7
[M+Na-2H]- 435.20877 197.9
[M]+ 414.23355 203.6
[M]- 414.23465 203.6
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.