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]+ 385.215346 198.2
[M+Na]+ 407.197288 204.7
[M-H]- 383.200794 208.1
[M+NH4]+ 402.241893 213.3
[M+K]+ 423.171228 200.3
[M+H-H2O]+ 367.205330 188.0
[M+HCOO]- 429.206271 220.2
[M+CH3COO]- 443.221921 237.3
[M+Na-2H]- 405.182736 199.6
[M]+ 384.20752142 206.6
[M]- 384.20861858 206.6
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.