CID 210440

21263-09-2

Structural Information

Molecular Formula
C27H38N2O2
SMILES
CC(C)CCOC(CN1CCN(CC1)CC(C)C(=O)C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H38N2O2/c1-22(2)14-19-31-26(24-10-6-4-7-11-24)21-29-17-15-28(16-18-29)20-23(3)27(30)25-12-8-5-9-13-25/h4-13,22-23,26H,14-21H2,1-3H3
InChIKey
SCYMOAVNBGMCIT-UHFFFAOYSA-N
Compound name
2-methyl-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.29333 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.30061 208.6
[M+Na]+ 445.28255 207.3
[M-H]- 421.28605 212.5
[M+NH4]+ 440.32715 214.1
[M+K]+ 461.25649 202.6
[M+H-H2O]+ 405.29059 196.3
[M+HCOO]- 467.29153 219.2
[M+CH3COO]- 481.30718 230.4
[M+Na-2H]- 443.26800 204.1
[M]+ 422.29278 206.0
[M]- 422.29388 206.0
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.