CID 515698

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

Structural Information

Molecular Formula
C26H32N2O2
SMILES
CN(C)CCCOC1=CC2=C(C=C1)C3=CC=CC4=C(C=CC2=C43)OCCCN(C)C
InChI
InChI=1S/C26H32N2O2/c1-27(2)14-6-16-29-19-10-11-20-21-8-5-9-23-25(30-17-7-15-28(3)4)13-12-22(26(21)23)24(20)18-19/h5,8-13,18H,6-7,14-17H2,1-4H3
InChIKey
CJRJPADLFSASHT-UHFFFAOYSA-N
Compound name
3-[4-[3-(dimethylamino)propoxy]fluoranthen-8-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

404.24637 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.25365 204.1
[M+Na]+ 427.23559 209.2
[M-H]- 403.23909 211.3
[M+NH4]+ 422.28019 220.7
[M+K]+ 443.20953 205.5
[M+H-H2O]+ 387.24363 194.7
[M+HCOO]- 449.24457 225.8
[M+CH3COO]- 463.26022 240.7
[M+Na-2H]- 425.22104 206.4
[M]+ 404.24582 213.5
[M]- 404.24692 213.5
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