CID 3040468

Brn 0433238

Structural Information

Molecular Formula
C20H24ClN3
SMILES
CN(C)CCCNCC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H24ClN3/c1-24(2)13-5-12-22-14-18-17-6-3-4-7-19(17)23-20(18)15-8-10-16(21)11-9-15/h3-4,6-11,22-23H,5,12-14H2,1-2H3
InChIKey
JQAKEUUVSBOIFE-UHFFFAOYSA-N
Compound name
N-[[2-(4-chlorophenyl)-1H-indol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.16586 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17314 183.2
[M+Na]+ 364.15508 191.0
[M-H]- 340.15858 189.4
[M+NH4]+ 359.19968 198.7
[M+K]+ 380.12902 183.5
[M+H-H2O]+ 324.16312 174.7
[M+HCOO]- 386.16406 202.6
[M+CH3COO]- 400.17971 193.8
[M+Na-2H]- 362.14053 186.4
[M]+ 341.16531 187.4
[M]- 341.16641 187.4
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.