CID 42524

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

Structural Information

Molecular Formula
C26H37BrN4
SMILES
CCN(CC)CCN(CCN(CC)CC)N1C=C(C2=C1C=CC(=C2)Br)C3=CC=CC=C3
InChI
InChI=1S/C26H37BrN4/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
PKPOAYLMBVVQCU-UHFFFAOYSA-N
Compound name
N'-(5-bromo-3-phenylindol-1-yl)-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

484.22015 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.22743 219.0
[M+Na]+ 507.20937 225.2
[M-H]- 483.21287 230.0
[M+NH4]+ 502.25397 232.7
[M+K]+ 523.18331 213.6
[M+H-H2O]+ 467.21741 213.2
[M+HCOO]- 529.21835 241.2
[M+CH3COO]- 543.23400 250.8
[M+Na-2H]- 505.19482 219.4
[M]+ 484.21960 243.9
[M]- 484.22070 243.9
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

patents stripe