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]+ 281.164836 166.4
[M+Na]+ 303.146778 174.7
[M-H]- 279.150284 171.6
[M+NH4]+ 298.191383 182.9
[M+K]+ 319.120718 168.8
[M+H-H2O]+ 263.154820 158.5
[M+HCOO]- 325.155761 188.3
[M+CH3COO]- 339.171411 177.9
[M+Na-2H]- 301.132226 169.4
[M]+ 280.15701142 166.9
[M]- 280.15810858 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.