CID 40193

52018-89-0

Structural Information

Molecular Formula
C18H19ClN2
SMILES
CCC(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C18H19ClN2/c1-2-14(20)11-16-15-5-3-4-6-17(15)21-18(16)12-7-9-13(19)10-8-12/h3-10,14,21H,2,11,20H2,1H3
InChIKey
MGCXKZBSZFFGLM-UHFFFAOYSA-N
Compound name
1-[2-(4-chlorophenyl)-1H-indol-3-yl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1237 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13098 170.3
[M+Na]+ 321.11292 185.7
[M+NH4]+ 316.15752 179.7
[M+K]+ 337.08686 178.1
[M-H]- 297.11642 175.5
[M+Na-2H]- 319.09837 178.5
[M]+ 298.12315 174.4
[M]- 298.12425 174.4
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.