CID 42530

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

Structural Information

Molecular Formula
C24H32Cl2N4
SMILES
CN(C)CCCN(CCCN(C)C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C24H32Cl2N4/c1-27(2)13-5-15-29(16-6-14-28(3)4)30-18-23(19-7-9-20(25)10-8-19)22-17-21(26)11-12-24(22)30/h7-12,17-18H,5-6,13-16H2,1-4H3
InChIKey
XPKVSZIKVSICLF-UHFFFAOYSA-N
Compound name
N'-[5-chloro-3-(4-chlorophenyl)indol-1-yl]-N'-[3-(dimethylamino)propyl]-N,N-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

446.2004 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.20768 211.2
[M+Na]+ 469.18962 225.2
[M+NH4]+ 464.23422 219.7
[M+K]+ 485.16356 216.4
[M-H]- 445.19312 218.0
[M+Na-2H]- 467.17507 218.7
[M]+ 446.19985 215.9
[M]- 446.20095 215.9
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