CID 3066207

M.g. 16220

Structural Information

Molecular Formula
C24H31N3O
SMILES
C1CC(=O)N(C1)CCCN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H31N3O/c28-23-13-7-15-26(23)16-8-14-25-17-19-27(20-18-25)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,24H,7-8,13-20H2
InChIKey
WBKORSGLCNYNKU-UHFFFAOYSA-N
Compound name
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.2467 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 195.1
[M+Na]+ 400.23592 196.1
[M-H]- 376.23942 201.3
[M+NH4]+ 395.28052 202.8
[M+K]+ 416.20986 189.6
[M+H-H2O]+ 360.24396 181.9
[M+HCOO]- 422.24490 207.4
[M+CH3COO]- 436.26055 201.3
[M+Na-2H]- 398.22137 191.7
[M]+ 377.24615 188.0
[M]- 377.24725 188.0
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.