CID 211100

22261-66-1

Structural Information

Molecular Formula
C26H36N2O3
SMILES
CC(C)(C)OC(CC1=CC=CC=C1)N2CCN(CC2)CCC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C26H36N2O3/c1-26(2,3)31-25(20-21-8-6-5-7-9-21)28-18-16-27(17-19-28)15-14-24(29)22-10-12-23(30-4)13-11-22/h5-13,25H,14-20H2,1-4H3
InChIKey
HNXUIPHWWKOIQH-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.27258 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.27986 208.1
[M+Na]+ 447.26180 209.1
[M-H]- 423.26530 212.8
[M+NH4]+ 442.30640 214.1
[M+K]+ 463.23574 204.9
[M+H-H2O]+ 407.26984 196.3
[M+HCOO]- 469.27078 219.7
[M+CH3COO]- 483.28643 228.9
[M+Na-2H]- 445.24725 206.6
[M]+ 424.27203 207.6
[M]- 424.27313 207.6
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.