CID 515695

4-[2-[4-(2-morpholinoethoxy)fluoranthen-8-yl]oxyethyl]morpholine

Structural Information

Molecular Formula
C28H32N2O4
SMILES
C1COCCN1CCOC2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)OCCN6CCOCC6
InChI
InChI=1S/C28H32N2O4/c1-2-23-22-5-4-21(33-18-12-29-8-14-31-15-9-29)20-26(22)24-6-7-27(25(3-1)28(23)24)34-19-13-30-10-16-32-17-11-30/h1-7,20H,8-19H2
InChIKey
JZBWBMIZTPBIHI-UHFFFAOYSA-N
Compound name
4-[2-[4-(2-morpholin-4-ylethoxy)fluoranthen-8-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.2362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24348 208.8
[M+Na]+ 483.22542 211.0
[M-H]- 459.22892 216.2
[M+NH4]+ 478.27002 215.2
[M+K]+ 499.19936 207.3
[M+H-H2O]+ 443.23346 195.9
[M+HCOO]- 505.23440 216.5
[M+CH3COO]- 519.25005 214.5
[M+Na-2H]- 481.21087 209.0
[M]+ 460.23565 208.5
[M]- 460.23675 208.5
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.