CID 42528

Indole, 1-(bis(2-(dimethylamino)ethyl)amino)-5-chloro-3-(p-chlorophenyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H28Cl2N4
SMILES
CN(C)CCN(CCN(C)C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H28Cl2N4/c1-25(2)11-13-27(14-12-26(3)4)28-16-21(17-5-7-18(23)8-6-17)20-15-19(24)9-10-22(20)28/h5-10,15-16H,11-14H2,1-4H3
InChIKey
XKAIEBUAKWCUDB-UHFFFAOYSA-N
Compound name
N'-[5-chloro-3-(4-chlorophenyl)indol-1-yl]-N'-[2-(dimethylamino)ethyl]-N,N-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.1691 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.17638 206.0
[M+Na]+ 441.15832 213.8
[M-H]- 417.16182 215.3
[M+NH4]+ 436.20292 220.5
[M+K]+ 457.13226 208.3
[M+H-H2O]+ 401.16636 196.5
[M+HCOO]- 463.16730 222.8
[M+CH3COO]- 477.18295 241.9
[M+Na-2H]- 439.14377 205.7
[M]+ 418.16855 216.2
[M]- 418.16965 216.2
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

patents stripe