CID 212121

Brn 0818799

Structural Information

Molecular Formula
C18H20N2O2
SMILES
C1CN(C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3)CCO
InChI
InChI=1S/C18H20N2O2/c21-14-13-20-12-11-19-17(22)18(20,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,21H,11-14H2,(H,19,22)
InChIKey
YWMZRILJZUJQSV-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-3,3-diphenylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

296.15247 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15975 172.0
[M+Na]+ 319.14169 177.2
[M-H]- 295.14519 175.5
[M+NH4]+ 314.18629 184.2
[M+K]+ 335.11563 171.0
[M+H-H2O]+ 279.14973 161.9
[M+HCOO]- 341.15067 186.9
[M+CH3COO]- 355.16632 180.7
[M+Na-2H]- 317.12714 176.0
[M]+ 296.15192 165.9
[M]- 296.15302 165.9
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

patents stripe