CID 16077268

Chembl217258

Structural Information

Molecular Formula
C28H35N3O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)N3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H35N3O2/c32-26-20-24(21-31(26)25-14-8-3-9-15-25)28(33)30-18-16-29(17-19-30)27(22-10-4-1-5-11-22)23-12-6-2-7-13-23/h1-2,4-7,10-13,24-25,27H,3,8-9,14-21H2
InChIKey
NWCWYTSDVFDXBH-UHFFFAOYSA-N
Compound name
4-(4-benzhydrylpiperazine-1-carbonyl)-1-cyclohexylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

445.27292 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.28020 211.3
[M+Na]+ 468.26214 209.3
[M-H]- 444.26564 219.5
[M+NH4]+ 463.30674 215.2
[M+K]+ 484.23608 202.8
[M+H-H2O]+ 428.27018 196.9
[M+HCOO]- 490.27112 218.3
[M+CH3COO]- 504.28677 215.0
[M+Na-2H]- 466.24759 203.3
[M]+ 445.27237 198.9
[M]- 445.27347 198.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.