CID 515682

1-butanone, 1,1'-(3,9-fluoranthenediyl)bis[4-(4-morpholinyl)-

Structural Information

Molecular Formula
C32H36N2O4
SMILES
C1COCCN1CCCC(=O)C2=CC3=C(C=C2)C4=CC=CC5=C(C=CC3=C54)C(=O)CCCN6CCOCC6
InChI
InChI=1S/C32H36N2O4/c35-30(6-2-12-33-14-18-37-19-15-33)23-8-9-24-26-4-1-5-27-25(10-11-28(32(26)27)29(24)22-23)31(36)7-3-13-34-16-20-38-21-17-34/h1,4-5,8-11,22H,2-3,6-7,12-21H2
InChIKey
LYLYMRCRXGWKQX-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-1-[4-(4-morpholin-4-ylbutanoyl)fluoranthen-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

512.2675 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.27478 225.6
[M+Na]+ 535.25672 225.6
[M-H]- 511.26022 232.3
[M+NH4]+ 530.30132 229.2
[M+K]+ 551.23066 221.2
[M+H-H2O]+ 495.26476 212.6
[M+HCOO]- 557.26570 230.1
[M+CH3COO]- 571.28135 229.3
[M+Na-2H]- 533.24217 221.6
[M]+ 512.26695 223.9
[M]- 512.26805 223.9
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.