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]+ 487.295516 223.5
[M+Na]+ 509.277458 223.0
[M-H]- 485.280964 228.7
[M+NH4]+ 504.322063 229.9
[M+K]+ 525.251398 215.7
[M+H-H2O]+ 469.285500 210.9
[M+HCOO]- 531.286441 230.6
[M+CH3COO]- 545.302091 227.1
[M+Na-2H]- 507.262906 216.5
[M]+ 486.28769142 218.0
[M]- 486.28878858 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

literature stripe

Patent stripe

patents stripe