CID 515699

Schembl11832474

Structural Information

Molecular Formula
C30H40N2O2
SMILES
CCN(CC)CCCOC1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)OCCCN(CC)CC
InChI
InChI=1S/C30H40N2O2/c1-5-31(6-2)18-10-20-33-23-14-15-24-25-12-9-13-27-29(34-21-11-19-32(7-3)8-4)17-16-26(30(25)27)28(24)22-23/h9,12-17,22H,5-8,10-11,18-21H2,1-4H3
InChIKey
QGZSSPKXZCUGBV-UHFFFAOYSA-N
Compound name
3-[4-[3-(diethylamino)propoxy]fluoranthen-8-yl]oxy-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

460.309 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31628 222.9
[M+Na]+ 483.29822 226.0
[M-H]- 459.30172 229.1
[M+NH4]+ 478.34282 237.0
[M+K]+ 499.27216 221.5
[M+H-H2O]+ 443.30626 212.6
[M+HCOO]- 505.30720 243.0
[M+CH3COO]- 519.32285 252.1
[M+Na-2H]- 481.28367 222.8
[M]+ 460.30845 233.4
[M]- 460.30955 233.4
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