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 198.2
[M+Na]+ 407.19729 204.7
[M-H]- 383.20079 208.1
[M+NH4]+ 402.24189 213.3
[M+K]+ 423.17123 200.3
[M+H-H2O]+ 367.20533 188.0
[M+HCOO]- 429.20627 220.2
[M+CH3COO]- 443.22192 237.3
[M+Na-2H]- 405.18274 199.6
[M]+ 384.20752 206.6
[M]- 384.20862 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.