CID 125455089

2059948-83-1

Structural Information

Molecular Formula
C13H16F3N3O4
SMILES
CC(C)(C)OC(=O)N1CCN2C(=NC(=C2C(=O)O)C(F)(F)F)C1
InChI
InChI=1S/C13H16F3N3O4/c1-12(2,3)23-11(22)18-4-5-19-7(6-18)17-9(13(14,15)16)8(19)10(20)21/h4-6H2,1-3H3,(H,20,21)
InChIKey
ZWWHJXGBVNXEBJ-UHFFFAOYSA-N
Compound name
7-[(2-methylpropan-2-yl)oxycarbonyl]-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.10928 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.11656 174.2
[M+Na]+ 358.09850 182.2
[M-H]- 334.10200 169.9
[M+NH4]+ 353.14310 186.4
[M+K]+ 374.07244 179.8
[M+H-H2O]+ 318.10654 165.5
[M+HCOO]- 380.10748 182.5
[M+CH3COO]- 394.12313 205.4
[M+Na-2H]- 356.08395 174.9
[M]+ 335.10873 171.4
[M]- 335.10983 171.4
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.