CID 515669

2-(diethylamino)-1-[4-[2-(diethylamino)acetyl]fluoranthen-8-yl]ethanone

Structural Information

Molecular Formula
C28H32N2O2
SMILES
CCN(CC)CC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)CN(CC)CC
InChI
InChI=1S/C28H32N2O2/c1-5-29(6-2)17-26(31)19-12-13-20-22-10-9-11-23-21(27(32)18-30(7-3)8-4)14-15-24(28(22)23)25(20)16-19/h9-16H,5-8,17-18H2,1-4H3
InChIKey
RPUWPPIRRQLHCD-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-[4-[2-(diethylamino)acetyl]fluoranthen-8-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

428.24637 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.25365 212.0
[M+Na]+ 451.23559 215.9
[M-H]- 427.23909 218.8
[M+NH4]+ 446.28019 227.1
[M+K]+ 467.20953 211.9
[M+H-H2O]+ 411.24363 202.8
[M+HCOO]- 473.24457 231.2
[M+CH3COO]- 487.26022 246.8
[M+Na-2H]- 449.22104 210.9
[M]+ 428.24582 219.4
[M]- 428.24692 219.4
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