CID 3066201

M.g. 16272

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CC(=O)N(C1)CC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2/c27-21-12-7-13-26(21)18-22(28)24-14-16-25(17-15-24)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-11,23H,7,12-18H2
InChIKey
VCUMZNDUHRMCHI-UHFFFAOYSA-N
Compound name
1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

377.21033 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 192.9
[M+Na]+ 400.19955 194.2
[M-H]- 376.20305 199.5
[M+NH4]+ 395.24415 200.5
[M+K]+ 416.17349 188.6
[M+H-H2O]+ 360.20759 180.2
[M+HCOO]- 422.20853 204.9
[M+CH3COO]- 436.22418 199.4
[M+Na-2H]- 398.18500 189.1
[M]+ 377.20978 185.5
[M]- 377.21088 185.5
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