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]+ 230.128776 148.2
[M+Na]+ 252.110718 156.3
[M-H]- 228.114224 153.0
[M+NH4]+ 247.155323 165.8
[M+K]+ 268.084658 152.8
[M+H-H2O]+ 212.118760 140.5
[M+HCOO]- 274.119701 170.7
[M+CH3COO]- 288.135351 160.8
[M+Na-2H]- 250.096166 154.4
[M]+ 229.12095142 148.4
[M]- 229.12204858 148.4
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.