CID 42532

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

Structural Information

Molecular Formula
C22H28ClFN4
SMILES
CN(C)CCN(CCN(C)C)N1C=C(C2=C1C=CC(=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H28ClFN4/c1-25(2)11-13-27(14-12-26(3)4)28-16-21(17-5-7-18(23)8-6-17)20-15-19(24)9-10-22(20)28/h5-10,15-16H,11-14H2,1-4H3
InChIKey
BKVYTHROBFRZTM-UHFFFAOYSA-N
Compound name
N'-[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.19864 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.20592 201.1
[M+Na]+ 425.18786 208.6
[M-H]- 401.19136 210.0
[M+NH4]+ 420.23246 215.8
[M+K]+ 441.16180 203.8
[M+H-H2O]+ 385.19590 190.3
[M+HCOO]- 447.19684 222.1
[M+CH3COO]- 461.21249 241.0
[M+Na-2H]- 423.17331 201.3
[M]+ 402.19809 209.0
[M]- 402.19919 209.0
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.