CID 42520

1-(bis(3-(dimethylamino)propyl)amino)-5-chloro-3-phenylindole dihydrochloride

Structural Information

Molecular Formula
C24H33ClN4
SMILES
CN(C)CCCN(CCCN(C)C)N1C=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C24H33ClN4/c1-26(2)14-8-16-28(17-9-15-27(3)4)29-19-23(20-10-6-5-7-11-20)22-18-21(25)12-13-24(22)29/h5-7,10-13,18-19H,8-9,14-17H2,1-4H3
InChIKey
VZWSCGUACUQKKI-UHFFFAOYSA-N
Compound name
N'-(5-chloro-3-phenylindol-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

412.23938 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24666 207.5
[M+Na]+ 435.22860 213.0
[M-H]- 411.23210 216.9
[M+NH4]+ 430.27320 221.4
[M+K]+ 451.20254 208.2
[M+H-H2O]+ 395.23664 196.9
[M+HCOO]- 457.23758 228.8
[M+CH3COO]- 471.25323 243.0
[M+Na-2H]- 433.21405 207.8
[M]+ 412.23883 216.5
[M]- 412.23993 216.5
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