CID 42518

Indole, 1-((2-(diethylamino)ethyl)methylamino)-5-fluoro-3-phenyl-, hydrochloride

Structural Information

Molecular Formula
C21H26FN3
SMILES
CCN(CC)CCN(C)N1C=C(C2=C1C=CC(=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C21H26FN3/c1-4-24(5-2)14-13-23(3)25-16-20(17-9-7-6-8-10-17)19-15-18(22)11-12-21(19)25/h6-12,15-16H,4-5,13-14H2,1-3H3
InChIKey
BXXGCXXRQQOGBH-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(5-fluoro-3-phenylindol-1-yl)-N-methylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.2111 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.21838 183.8
[M+Na]+ 362.20032 190.9
[M-H]- 338.20382 191.5
[M+NH4]+ 357.24492 199.7
[M+K]+ 378.17426 186.5
[M+H-H2O]+ 322.20836 173.0
[M+HCOO]- 384.20930 208.3
[M+CH3COO]- 398.22495 225.3
[M+Na-2H]- 360.18577 186.0
[M]+ 339.21055 187.9
[M]- 339.21165 187.9
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.