CID 53090

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

Structural Information

Molecular Formula
C22H30N4
SMILES
CN(C)CCN(CCN(C)C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C22H30N4/c1-23(2)14-16-25(17-15-24(3)4)26-18-21(19-10-6-5-7-11-19)20-12-8-9-13-22(20)26/h5-13,18H,14-17H2,1-4H3
InChIKey
SUSYZZFRJVLOSW-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.24704 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.25432 189.0
[M+Na]+ 373.23626 193.7
[M-H]- 349.23976 198.8
[M+NH4]+ 368.28086 204.3
[M+K]+ 389.21020 191.1
[M+H-H2O]+ 333.24430 178.2
[M+HCOO]- 395.24524 215.7
[M+CH3COO]- 409.26089 232.7
[M+Na-2H]- 371.22171 191.9
[M]+ 350.24649 194.6
[M]- 350.24759 194.6
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.