CID 54399591

2-amino-5-[(1r)-1-(1h-indol-3-yl)ethyl]-1,3-oxazol-4-ol

Structural Information

Molecular Formula
C13H13N3O2
SMILES
C[C@H](C1=CNC2=CC=CC=C21)C3=C(N=C(O3)N)O
InChI
InChI=1S/C13H13N3O2/c1-7(11-12(17)16-13(14)18-11)9-6-15-10-5-3-2-4-8(9)10/h2-7,15,17H,1H3,(H2,14,16)/t7-/m1/s1
InChIKey
VMLMRQCYCWBNCA-SSDOTTSWSA-N
Compound name
2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3
Patents

243.10077 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 152.9
[M+Na]+ 266.08999 164.9
[M+NH4]+ 261.13459 160.0
[M+K]+ 282.06393 164.1
[M-H]- 242.09349 156.2
[M+Na-2H]- 264.07544 158.1
[M]+ 243.10022 155.3
[M]- 243.10132 155.3
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