CID 40198

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

Structural Information

Molecular Formula
C18H20N2O
SMILES
CC(CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)OC)N
InChI
InChI=1S/C18H20N2O/c1-12(19)11-16-15-5-3-4-6-17(15)20-18(16)13-7-9-14(21-2)10-8-13/h3-10,12,20H,11,19H2,1-2H3
InChIKey
XCAPBSMLGZLHKE-UHFFFAOYSA-N
Compound name
1-[2-(4-methoxyphenyl)-1H-indol-3-yl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.15756 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.16484 166.4
[M+Na]+ 303.14678 174.7
[M-H]- 279.15028 171.6
[M+NH4]+ 298.19138 182.9
[M+K]+ 319.12072 168.8
[M+H-H2O]+ 263.15482 158.5
[M+HCOO]- 325.15576 188.3
[M+CH3COO]- 339.17141 177.9
[M+Na-2H]- 301.13223 169.4
[M]+ 280.15701 166.9
[M]- 280.15811 166.9
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.