CID 53092

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

Structural Information

Molecular Formula
C22H29ClN4
SMILES
CN(C)CCN(CCN(C)C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C22H29ClN4/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
KPFVFVGDQJCTCP-UHFFFAOYSA-N
Compound name
N'-(5-chloro-3-phenylindol-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

384.20807 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.21535 195.4
[M+Na]+ 407.19729 208.9
[M+NH4]+ 402.24189 204.2
[M+K]+ 423.17123 201.4
[M-H]- 383.20079 202.6
[M+Na-2H]- 405.18274 204.0
[M]+ 384.20752 199.8
[M]- 384.20862 199.8
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.