CID 42512

Indole, 1-((2-(diethylamino)ethyl)methylamino)-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C21H27N3
SMILES
CCN(CC)CCN(C)N1C=C(C2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H27N3/c1-4-23(5-2)16-15-22(3)24-17-20(18-11-7-6-8-12-18)19-13-9-10-14-21(19)24/h6-14,17H,4-5,15-16H2,1-3H3
InChIKey
URTCZNOGXYSEBM-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-methyl-N-(3-phenylindol-1-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.2205 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.22778 180.0
[M+Na]+ 344.20972 193.7
[M+NH4]+ 339.25432 189.1
[M+K]+ 360.18366 186.3
[M-H]- 320.21322 186.7
[M+Na-2H]- 342.19517 189.2
[M]+ 321.21995 184.0
[M]- 321.22105 184.0
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