CID 210432

21263-05-8

Structural Information

Molecular Formula
C23H30N2O2
SMILES
CC(CN1CCN(CC1)CC(C2=CC=CC=C2)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H30N2O2/c1-19(23(26)21-11-7-4-8-12-21)17-24-13-15-25(16-14-24)18-22(27-2)20-9-5-3-6-10-20/h3-12,19,22H,13-18H2,1-2H3
InChIKey
SGGBVTPQLWEREB-UHFFFAOYSA-N
Compound name
3-[4-(2-methoxy-2-phenylethyl)piperazin-1-yl]-2-methyl-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.23074 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.238016 191.8
[M+Na]+ 389.219958 192.5
[M-H]- 365.223464 196.3
[M+NH4]+ 384.264563 199.7
[M+K]+ 405.193898 188.1
[M+H-H2O]+ 349.228000 180.0
[M+HCOO]- 411.228941 204.8
[M+CH3COO]- 425.244591 217.9
[M+Na-2H]- 387.205406 190.4
[M]+ 366.23019142 188.4
[M]- 366.23128858 188.4
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.