CID 18442773

365996-63-0

Structural Information

Molecular Formula
C10H13BrN2O2S
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)SC(=N2)Br
InChI
InChI=1S/C10H13BrN2O2S/c1-10(2,3)15-9(14)13-4-6-7(5-13)16-8(11)12-6/h4-5H2,1-3H3
InChIKey
CDSSEIKIKLGYMP-UHFFFAOYSA-N
Compound name
tert-butyl 2-bromo-4,6-dihydropyrrolo[3,4-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

122
Patents

303.9881 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.99538 158.9
[M+Na]+ 326.97732 158.8
[M+NH4]+ 322.02192 162.7
[M+K]+ 342.95126 162.0
[M-H]- 302.98082 156.7
[M+Na-2H]- 324.96277 157.8
[M]+ 303.98755 157.2
[M]- 303.98865 157.2
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