CID 42508

Indole, 1-((3-(dimethylamino)propyl)methylamino)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₅N₃

SMILES

CN(C)CCCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3/c1-21(2)14-9-15-22(3)23-16-19(17-10-5-4-6-11-17)18-12-7-8-13-20(18)23/h4-8,10-13,16H,9,14-15H2,1-3H3

InChIKey

XPMDVDVUDWPNMJ-UHFFFAOYSA-N

Compound name

N,N,N'-trimethyl-N'-(3-phenylindol-1-yl)propane-1,3-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 307.20483 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	308.212106	175.8
[M+Na]+	330.194048	182.3
[M-H]-	306.197554	184.7
[M+NH4]+	325.238653	192.8
[M+K]+	346.167988	178.7
[M+H-H2O]+	290.202090	166.0
[M+HCOO]-	352.203031	201.8
[M+CH3COO]-	366.218681	218.6
[M+Na-2H]-	328.179496	179.9
[M]+	307.20428142	180.2
[M]-	307.20537858	180.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe