CID 53466958

Taminadenant

Structural Information

Molecular Formula
C10H8BrN7
SMILES
C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3
InChI
InChI=1S/C10H8BrN7/c11-7-8(12)15-10(18-6-2-4-14-18)16-9(7)17-5-1-3-13-17/h1-6H,(H2,12,15,16)
InChIKey
ATFXVNUWQOXRRU-UHFFFAOYSA-N
Compound name
5-bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

1049
Patents

305.00247 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.00975 151.8
[M+Na]+ 327.99169 166.8
[M-H]- 303.99519 158.3
[M+NH4]+ 323.03629 166.0
[M+K]+ 343.96563 154.5
[M+H-H2O]+ 287.99973 148.3
[M+HCOO]- 350.00067 172.3
[M+CH3COO]- 364.01632 165.9
[M+Na-2H]- 325.97714 158.4
[M]+ 305.00192 171.2
[M]- 305.00302 171.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe