CID 42536

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

Structural Information

Molecular Formula
C24H32ClFN4
SMILES
CN(C)CCCN(CCCN(C)C)N1C=C(C2=C1C=CC(=C2)F)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H32ClFN4/c1-27(2)13-5-15-29(16-6-14-28(3)4)30-18-23(19-7-9-20(25)10-8-19)22-17-21(26)11-12-24(22)30/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKey
XEGJIIFGOJSRDN-UHFFFAOYSA-N
Compound name
N'-[3-(4-chlorophenyl)-5-fluoroindol-1-yl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.22995 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23723 210.5
[M+Na]+ 453.21917 217.0
[M-H]- 429.22267 218.9
[M+NH4]+ 448.26377 223.9
[M+K]+ 469.19311 211.8
[M+H-H2O]+ 413.22721 199.2
[M+HCOO]- 475.22815 230.7
[M+CH3COO]- 489.24380 246.8
[M+Na-2H]- 451.20462 209.5
[M]+ 430.22940 219.0
[M]- 430.23050 219.0
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.