CID 42534

Indole, 1-(bis(2-(diethylamino)ethyl)amino)-3-(p-chlorophenyl)-5-fluoro-, dihydrochloride

Structural Information

Molecular Formula
C26H36ClFN4
SMILES
CCN(CC)CCN(CCN(CC)CC)N1C=C(C2=C1C=CC(=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C26H36ClFN4/c1-5-29(6-2)15-17-31(18-16-30(7-3)8-4)32-20-25(21-9-11-22(27)12-10-21)24-19-23(28)13-14-26(24)32/h9-14,19-20H,5-8,15-18H2,1-4H3
InChIKey
JACDPXGZLUUXOM-UHFFFAOYSA-N
Compound name
N'-[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-N'-[2-(diethylamino)ethyl]-N,N-diethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.26126 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26854 219.7
[M+Na]+ 481.25048 225.3
[M-H]- 457.25398 227.7
[M+NH4]+ 476.29508 232.0
[M+K]+ 497.22442 219.7
[M+H-H2O]+ 441.25852 208.0
[M+HCOO]- 503.25946 239.2
[M+CH3COO]- 517.27511 252.5
[M+Na-2H]- 479.23593 217.6
[M]+ 458.26071 228.9
[M]- 458.26181 228.9
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

No patent data available for this compound.