CID 74405226

5-methoxy ept

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

260.18887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.196146 163.4
[M+Na]+ 283.178088 170.8
[M-H]- 259.181594 166.6
[M+NH4]+ 278.222693 182.0
[M+K]+ 299.152028 167.2
[M+H-H2O]+ 243.186130 155.9
[M+HCOO]- 305.187071 186.7
[M+CH3COO]- 319.202721 202.1
[M+Na-2H]- 281.163536 167.2
[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