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]+ 336.116556 174.2
[M+Na]+ 358.098498 182.2
[M-H]- 334.102004 169.9
[M+NH4]+ 353.143103 186.4
[M+K]+ 374.072438 179.8
[M+H-H2O]+ 318.106540 165.5
[M+HCOO]- 380.107481 182.5
[M+CH3COO]- 394.123131 205.4
[M+Na-2H]- 356.083946 174.9
[M]+ 335.10873142 171.4
[M]- 335.10982858 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.