CID 25202252

Pa155a

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C[C@H](C1=CNC2=CC=CC=C21)C3=C(N=C(O3)NC)O
InChI
InChI=1S/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,16,18H,1-2H3,(H,15,17)/t8-/m1/s1
InChIKey
XQKKRYVHINBALY-MRVPVSSYSA-N
Compound name
5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1
Patents

257.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 156.8
[M+Na]+ 280.10564 166.2
[M-H]- 256.10914 161.4
[M+NH4]+ 275.15024 173.0
[M+K]+ 296.07958 162.5
[M+H-H2O]+ 240.11368 149.8
[M+HCOO]- 302.11462 177.9
[M+CH3COO]- 316.13027 169.1
[M+Na-2H]- 278.09109 160.4
[M]+ 257.11587 158.6
[M]- 257.11697 158.6
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