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

2
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

patents stripe