CID 3078966

123489-65-6

Structural Information

Molecular Formula
C24H28N2O2
SMILES
C1CCN(C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)CN4CCCC4
InChI
InChI=1S/C24H28N2O2/c27-23(17-25-13-1-2-14-25)21-9-5-19(6-10-21)20-7-11-22(12-8-20)24(28)18-26-15-3-4-16-26/h5-12H,1-4,13-18H2
InChIKey
KMLDWAQLVQJKAE-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-1-[4-[4-(2-pyrrolidin-1-ylacetyl)phenyl]phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

376.2151 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.22238 193.3
[M+Na]+ 399.20432 195.1
[M-H]- 375.20782 202.1
[M+NH4]+ 394.24892 204.4
[M+K]+ 415.17826 189.9
[M+H-H2O]+ 359.21236 182.5
[M+HCOO]- 421.21330 208.8
[M+CH3COO]- 435.22895 201.0
[M+Na-2H]- 397.18977 187.2
[M]+ 376.21455 188.4
[M]- 376.21565 188.4
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.