CID 515702

1-[3-[4-[3-(1-piperidyl)propyl]fluoranthen-8-yl]propyl]piperidine

Structural Information

Molecular Formula
C32H40N2
SMILES
C1CCN(CC1)CCCC2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)CCCN6CCCCC6
InChI
InChI=1S/C32H40N2/c1-3-18-33(19-4-1)22-8-10-25-14-16-28-29-13-7-12-27-26(11-9-23-34-20-5-2-6-21-34)15-17-30(32(27)29)31(28)24-25/h7,12-17,24H,1-6,8-11,18-23H2
InChIKey
SOAUTSXCMRVEGB-UHFFFAOYSA-N
Compound name
1-[3-[4-(3-piperidin-1-ylpropyl)fluoranthen-8-yl]propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

452.31915 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.32643 216.4
[M+Na]+ 475.30837 217.0
[M-H]- 451.31187 221.5
[M+NH4]+ 470.35297 225.8
[M+K]+ 491.28231 207.1
[M+H-H2O]+ 435.31641 202.3
[M+HCOO]- 497.31735 223.8
[M+CH3COO]- 511.33300 220.5
[M+Na-2H]- 473.29382 213.0
[M]+ 452.31860 210.3
[M]- 452.31970 210.3
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

No patent data available for this compound.