CID 40196

3-(2-aminobutyl)-2-(p-methoxyphenyl)indole

Structural Information

Molecular Formula
C19H22N2O
SMILES
CCC(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C19H22N2O/c1-3-14(20)12-17-16-6-4-5-7-18(16)21-19(17)13-8-10-15(22-2)11-9-13/h4-11,14,21H,3,12,20H2,1-2H3
InChIKey
BDUPTMIKBIYGCC-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)-1H-indol-3-yl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.17322 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.18050 171.0
[M+Na]+ 317.16244 178.9
[M-H]- 293.16594 176.0
[M+NH4]+ 312.20704 186.9
[M+K]+ 333.13638 172.7
[M+H-H2O]+ 277.17048 162.9
[M+HCOO]- 339.17142 192.5
[M+CH3COO]- 353.18707 182.1
[M+Na-2H]- 315.14789 173.5
[M]+ 294.17267 171.8
[M]- 294.17377 171.8
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.