CID 126839428

6-bromo-3-iodo-2-methoxypyrazolo[1,5-a]pyrimidine

Structural Information

Molecular Formula
C7H5BrIN3O
SMILES
COC1=NN2C=C(C=NC2=C1I)Br
InChI
InChI=1S/C7H5BrIN3O/c1-13-7-5(9)6-10-2-4(8)3-12(6)11-7/h2-3H,1H3
InChIKey
PXICRCBTWBIKHI-UHFFFAOYSA-N
Compound name
6-bromo-3-iodo-2-methoxypyrazolo[1,5-a]pyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.86606 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.87334 140.7
[M+Na]+ 375.85528 149.8
[M-H]- 351.85878 138.8
[M+NH4]+ 370.89988 156.8
[M+K]+ 391.82922 145.0
[M+H-H2O]+ 335.86332 136.6
[M+HCOO]- 397.86426 157.3
[M+CH3COO]- 411.87991 152.9
[M+Na-2H]- 373.84073 139.3
[M]+ 352.86551 159.9
[M]- 352.86661 159.9
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.