CID 53096

1-(bis(2-(diethylamino)ethyl)amino)-5-fluoro-3-phenylindole dihydrochloride

Structural Information

Molecular Formula
C26H37FN4
SMILES
CCN(CC)CCN(CCN(CC)CC)N1C=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C26H37FN4/c1-5-28(6-2)16-18-30(19-17-29(7-3)8-4)31-21-25(22-12-10-9-11-13-22)24-20-23(27)14-15-26(24)31/h9-15,20-21H,5-8,16-19H2,1-4H3
InChIKey
OUFHMYGIYMVPKH-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]-N,N-diethyl-N'-(5-fluoro-3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.30023 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.30751 210.9
[M+Na]+ 447.28945 214.8
[M-H]- 423.29295 218.9
[M+NH4]+ 442.33405 223.4
[M+K]+ 463.26339 210.8
[M+H-H2O]+ 407.29749 198.5
[M+HCOO]- 469.29843 235.1
[M+CH3COO]- 483.31408 248.1
[M+Na-2H]- 445.27490 210.3
[M]+ 424.29968 217.2
[M]- 424.30078 217.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.