CID 515703

4-[4-[4-(4-morpholinobutyl)fluoranthen-8-yl]butyl]morpholine

Structural Information

Molecular Formula
C32H40N2O2
SMILES
C1COCCN1CCCCC2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)CCCCN6CCOCC6
InChI
InChI=1S/C32H40N2O2/c1(3-14-33-16-20-35-21-17-33)6-25-10-12-28-29-9-5-8-27-26(11-13-30(32(27)29)31(28)24-25)7-2-4-15-34-18-22-36-23-19-34/h5,8-13,24H,1-4,6-7,14-23H2
InChIKey
JRHQVMDYNVNGAA-UHFFFAOYSA-N
Compound name
4-[4-[4-(4-morpholin-4-ylbutyl)fluoranthen-8-yl]butyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

484.309 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.31628 222.1
[M+Na]+ 507.29822 222.9
[M-H]- 483.30172 228.5
[M+NH4]+ 502.34282 227.5
[M+K]+ 523.27216 216.7
[M+H-H2O]+ 467.30626 208.3
[M+HCOO]- 529.30720 228.0
[M+CH3COO]- 543.32285 226.2
[M+Na-2H]- 505.28367 219.4
[M]+ 484.30845 219.9
[M]- 484.30955 219.9
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.