CID 515697

1-propanamine, 2,2'-[3,9-fluoranthenediylbis(oxy)]bis[n,n-diethyl-

Structural Information

Molecular Formula
C30H40N2O2
SMILES
CCN(CC)CC(C)OC1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)OC(C)CN(CC)CC
InChI
InChI=1S/C30H40N2O2/c1-7-31(8-2)19-21(5)33-23-14-15-24-25-12-11-13-27-29(34-22(6)20-32(9-3)10-4)17-16-26(30(25)27)28(24)18-23/h11-18,21-22H,7-10,19-20H2,1-6H3
InChIKey
DCARFKPMBMFLHB-UHFFFAOYSA-N
Compound name
2-[4-[1-(diethylamino)propan-2-yloxy]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

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.31628 224.1
[M+Na]+ 483.29822 226.4
[M-H]- 459.30172 230.4
[M+NH4]+ 478.34282 238.0
[M+K]+ 499.27216 223.2
[M+H-H2O]+ 443.30626 214.3
[M+HCOO]- 505.30720 242.1
[M+CH3COO]- 519.32285 253.8
[M+Na-2H]- 481.28367 221.7
[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