CID 57518451

1152440-02-2

Structural Information

Molecular Formula
C12H15BrF3N3O2
SMILES
CC(C)(C)OC(=O)N1CCN2C(=C(N=C2C(F)(F)F)Br)C1
InChI
InChI=1S/C12H15BrF3N3O2/c1-11(2,3)21-10(20)18-4-5-19-7(6-18)8(13)17-9(19)12(14,15)16/h4-6H2,1-3H3
InChIKey
SVHZDIVYRFEIBI-UHFFFAOYSA-N
Compound name
tert-butyl 1-bromo-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

369.02997 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.03725 180.5
[M+Na]+ 392.01919 192.6
[M-H]- 368.02269 180.6
[M+NH4]+ 387.06379 196.3
[M+K]+ 407.99313 181.5
[M+H-H2O]+ 352.02723 177.8
[M+HCOO]- 414.02817 189.4
[M+CH3COO]- 428.04382 209.1
[M+Na-2H]- 390.00464 183.2
[M]+ 369.02942 196.1
[M]- 369.03052 196.1
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

patents stripe