CID 3062958

99518-89-5

Structural Information

Molecular Formula
C21H24N2O2
SMILES
C1CN(CCN1CC2C(COC2=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O2/c24-21-19(20(16-25-21)17-7-3-1-4-8-17)15-22-11-13-23(14-12-22)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2
InChIKey
LCWUDWBKFWZWQD-UHFFFAOYSA-N
Compound name
4-phenyl-3-[(4-phenylpiperazin-1-yl)methyl]oxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.19106 181.8
[M+Na]+ 359.17300 185.7
[M-H]- 335.17650 191.0
[M+NH4]+ 354.21760 191.8
[M+K]+ 375.14694 181.2
[M+H-H2O]+ 319.18104 170.5
[M+HCOO]- 381.18198 196.9
[M+CH3COO]- 395.19763 190.6
[M+Na-2H]- 357.15845 180.9
[M]+ 336.18323 176.3
[M]- 336.18433 176.3
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.