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 170.8
[M+Na]+ 321.11292 180.1
[M-H]- 297.11642 175.6
[M+NH4]+ 316.15752 187.5
[M+K]+ 337.08686 171.8
[M+H-H2O]+ 281.12096 163.5
[M+HCOO]- 343.12190 187.8
[M+CH3COO]- 357.13755 182.0
[M+Na-2H]- 319.09837 173.1
[M]+ 298.12315 172.2
[M]- 298.12425 172.2
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

No patent data available for this compound.