CID 147584

34924-25-9

Structural Information

Molecular Formula
C31H38N2O3
SMILES
C1CCN(CC1)CCCC(=O)C2=CC3=C(C=C2)C4=C(C3=O)C=C(C=C4)C(=O)CCCN5CCCCC5
InChI
InChI=1S/C31H38N2O3/c34-29(9-7-19-32-15-3-1-4-16-32)23-11-13-25-26-14-12-24(22-28(26)31(36)27(25)21-23)30(35)10-8-20-33-17-5-2-6-18-33/h11-14,21-22H,1-10,15-20H2
InChIKey
ZNDNZBVYMDSTJN-UHFFFAOYSA-N
Compound name
2,7-bis(4-piperidin-1-ylbutanoyl)fluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

486.28824 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.29552 223.5
[M+Na]+ 509.27746 223.0
[M-H]- 485.28096 228.7
[M+NH4]+ 504.32206 229.9
[M+K]+ 525.25140 215.7
[M+H-H2O]+ 469.28550 210.9
[M+HCOO]- 531.28644 230.6
[M+CH3COO]- 545.30209 227.1
[M+Na-2H]- 507.26291 216.5
[M]+ 486.28769 218.0
[M]- 486.28879 218.0
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.