CID 515684

5-(dimethylamino)-1-[4-[5-(dimethylamino)pentanoyl]fluoranthen-8-yl]pentan-1-one

Structural Information

Molecular Formula
C30H36N2O2
SMILES
CN(C)CCCCC(=O)C1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)C(=O)CCCCN(C)C
InChI
InChI=1S/C30H36N2O2/c1-31(2)18-7-5-12-28(33)21-14-15-22-24-10-9-11-25-23(29(34)13-6-8-19-32(3)4)16-17-26(30(24)25)27(22)20-21/h9-11,14-17,20H,5-8,12-13,18-19H2,1-4H3
InChIKey
NDFSXCYGIAOUQJ-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-1-[4-[5-(dimethylamino)pentanoyl]fluoranthen-8-yl]pentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

456.27768 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.28496 221.4
[M+Na]+ 479.26690 224.4
[M-H]- 455.27040 227.8
[M+NH4]+ 474.31150 235.3
[M+K]+ 495.24084 219.9
[M+H-H2O]+ 439.27494 211.8
[M+HCOO]- 501.27588 239.8
[M+CH3COO]- 515.29153 252.5
[M+Na-2H]- 477.25235 219.2
[M]+ 456.27713 229.4
[M]- 456.27823 229.4
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.