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

literature stripe

Patent stripe

patents stripe