CID 496491

Nsc691194

Structural Information

Molecular Formula
C13H10F3N3O2
SMILES
COC(C1=CC=CC=C1)(C2=NC(=C(O2)N)C#N)C(F)(F)F
InChI
InChI=1S/C13H10F3N3O2/c1-20-12(13(14,15)16,8-5-3-2-4-6-8)11-19-9(7-17)10(18)21-11/h2-6H,18H2,1H3
InChIKey
HDMNANRJXCXDGG-UHFFFAOYSA-N
Compound name
5-amino-2-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)-1,3-oxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0725 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07978 163.4
[M+Na]+ 320.06172 173.4
[M-H]- 296.06522 164.0
[M+NH4]+ 315.10632 175.3
[M+K]+ 336.03566 170.3
[M+H-H2O]+ 280.06976 146.9
[M+HCOO]- 342.07070 177.6
[M+CH3COO]- 356.08635 211.9
[M+Na-2H]- 318.04717 167.3
[M]+ 297.07195 155.8
[M]- 297.07305 155.8
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.