CID 53485366

5-methoxy eipt

Structural Information

Molecular Formula
C16H24N2O
SMILES
CCN(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C
InChI
InChI=1S/C16H24N2O/c1-5-18(12(2)3)9-8-13-11-17-16-7-6-14(19-4)10-15(13)16/h6-7,10-12,17H,5,8-9H2,1-4H3
InChIKey
VVEQXDHSGNBFLZ-UHFFFAOYSA-N
Compound name
N-ethyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

66
Patents

260.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 164.0
[M+Na]+ 283.178088 171.1
[M-H]- 259.181594 167.3
[M+NH4]+ 278.222693 182.5
[M+K]+ 299.152028 168.0
[M+H-H2O]+ 243.186130 156.7
[M+HCOO]- 305.187071 186.3
[M+CH3COO]- 319.202721 203.0
[M+Na-2H]- 281.163536 166.6
[M]+ 260.18832142 168.1
[M]- 260.18941858 168.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe