CID 42522

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

Structural Information

Molecular Formula
C22H29FN4
SMILES
CN(C)CCN(CCN(C)C)N1C=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C22H29FN4/c1-24(2)12-14-26(15-13-25(3)4)27-17-21(18-8-6-5-7-9-18)20-16-19(23)10-11-22(20)27/h5-11,16-17H,12-15H2,1-4H3
InChIKey
UQMAYWJBKJSVBO-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-N'-(5-fluoro-3-phenylindol-1-yl)-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.2376 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24488 192.4
[M+Na]+ 391.22682 198.1
[M-H]- 367.23032 201.3
[M+NH4]+ 386.27142 207.3
[M+K]+ 407.20076 195.1
[M+H-H2O]+ 351.23486 180.9
[M+HCOO]- 413.23580 218.0
[M+CH3COO]- 427.25145 236.5
[M+Na-2H]- 389.21227 194.0
[M]+ 368.23705 197.5
[M]- 368.23815 197.5
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.