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]+ 322.227776 180.5
[M+Na]+ 344.209718 186.6
[M-H]- 320.213224 189.2
[M+NH4]+ 339.254323 196.9
[M+K]+ 360.183658 182.7
[M+H-H2O]+ 304.217760 170.5
[M+HCOO]- 366.218701 206.1
[M+CH3COO]- 380.234351 221.5
[M+Na-2H]- 342.195166 184.1
[M]+ 321.21995142 185.2
[M]- 321.22104858 185.2
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