CID 515673

4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]fluoranthen-8-yl]butan-1-one

Structural Information

Molecular Formula
C28H32N2O2
SMILES
CN(C)CCCC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)CCCN(C)C
InChI
InChI=1S/C28H32N2O2/c1-29(2)16-6-10-26(31)19-12-13-20-22-8-5-9-23-21(27(32)11-7-17-30(3)4)14-15-24(28(22)23)25(20)18-19/h5,8-9,12-15,18H,6-7,10-11,16-17H2,1-4H3
InChIKey
UBDQNDMQZNXWIQ-UHFFFAOYSA-N
Compound name
4-(dimethylamino)-1-[4-[4-(dimethylamino)butanoyl]fluoranthen-8-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

428.24637 Da
Monoisotopic Mass

4.5
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

No patent data available for this compound.