CID 515701

Schembl11748924

Structural Information

Molecular Formula
C32H40N2O2
SMILES
C1CCN(CC1)CCCOC2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)OCCCN6CCCCC6
InChI
InChI=1S/C32H40N2O2/c1-3-16-33(17-4-1)20-8-22-35-25-12-13-26-27-10-7-11-29-31(15-14-28(32(27)29)30(26)24-25)36-23-9-21-34-18-5-2-6-19-34/h7,10-15,24H,1-6,8-9,16-23H2
InChIKey
RFJDWAGYUKQJJY-UHFFFAOYSA-N
Compound name
1-[3-[4-(3-piperidin-1-ylpropoxy)fluoranthen-8-yl]oxypropyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

484.309 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.31628 221.5
[M+Na]+ 507.29822 221.4
[M-H]- 483.30172 226.5
[M+NH4]+ 502.34282 229.3
[M+K]+ 523.27216 213.3
[M+H-H2O]+ 467.30626 207.2
[M+HCOO]- 529.30720 229.1
[M+CH3COO]- 543.32285 225.2
[M+Na-2H]- 505.28367 218.5
[M]+ 484.30845 218.1
[M]- 484.30955 218.1
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