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 215.2
[M+Na]+ 469.18962 222.1
[M-H]- 445.19312 224.1
[M+NH4]+ 464.23422 228.5
[M+K]+ 485.16356 216.1
[M+H-H2O]+ 429.19766 205.3
[M+HCOO]- 491.19860 231.3
[M+CH3COO]- 505.21425 247.6
[M+Na-2H]- 467.17507 213.8
[M]+ 446.19985 226.0
[M]- 446.20095 226.0
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