CID 58972

Indole, 3-(2-(2-oxazolinylamino)ethyl)-

Structural Information

Molecular Formula
C13H15N3O
SMILES
C1COC(=N1)NCCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H15N3O/c1-2-4-12-11(3-1)10(9-16-12)5-6-14-13-15-7-8-17-13/h1-4,9,16H,5-8H2,(H,14,15)
InChIKey
DEXLCCIGUZZZSA-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.1215 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 150.3
[M+Na]+ 252.11072 162.4
[M+NH4]+ 247.15532 158.6
[M+K]+ 268.08466 159.5
[M-H]- 228.11422 154.6
[M+Na-2H]- 250.09617 156.9
[M]+ 229.12095 153.1
[M]- 229.12205 153.1
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.