CID 3060018

1-propanol, 3-((4,5-dihydro-1h-imidazol-2-yl)(1h-indol-3-ylmethyl)amino)-, monohydroiodide

Structural Information

Molecular Formula
C15H20N4O
SMILES
C1CN=C(N1)N(CCCO)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C15H20N4O/c20-9-3-8-19(15-16-6-7-17-15)11-12-10-18-14-5-2-1-4-13(12)14/h1-2,4-5,10,18,20H,3,6-9,11H2,(H,16,17)
InChIKey
ZHPJJWREEYKEMJ-UHFFFAOYSA-N
Compound name
3-[4,5-dihydro-1H-imidazol-2-yl(1H-indol-3-ylmethyl)amino]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1637 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.17098 161.5
[M+Na]+ 295.15292 167.6
[M-H]- 271.15642 162.9
[M+NH4]+ 290.19752 176.5
[M+K]+ 311.12686 162.5
[M+H-H2O]+ 255.16096 152.6
[M+HCOO]- 317.16190 180.4
[M+CH3COO]- 331.17755 171.5
[M+Na-2H]- 293.13837 164.6
[M]+ 272.16315 159.9
[M]- 272.16425 159.9
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.