CID 3064483

104802-58-6

Structural Information

Molecular Formula
C29H38N2O2
SMILES
C1CCCN(CC1)C(CC(C(=O)C2=CC=CC=C2)N3CCCCCC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C29H38N2O2/c32-28(24-15-7-5-8-16-24)26(30-19-11-1-2-12-20-30)23-27(31-21-13-3-4-14-22-31)29(33)25-17-9-6-10-18-25/h5-10,15-18,26-27H,1-4,11-14,19-23H2
InChIKey
AJYQYVISBQERST-UHFFFAOYSA-N
Compound name
2,4-bis(azepan-1-yl)-1,5-diphenylpentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

446.29333 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.30061 216.3
[M+Na]+ 469.28255 221.0
[M+NH4]+ 464.32715 219.8
[M+K]+ 485.25649 216.7
[M-H]- 445.28605 219.7
[M+Na-2H]- 467.26800 220.0
[M]+ 446.29278 217.8
[M]- 446.29388 217.8
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.