CID 61176054

4-bromo-1-(pyrimidin-2-yl)-1h-pyrazol-3-amine

Structural Information

Molecular Formula
C7H6BrN5
SMILES
C1=CN=C(N=C1)N2C=C(C(=N2)N)Br
InChI
InChI=1S/C7H6BrN5/c8-5-4-13(12-6(5)9)7-10-2-1-3-11-7/h1-4H,(H2,9,12)
InChIKey
ZZUWREGROFVVEI-UHFFFAOYSA-N
Compound name
4-bromo-1-pyrimidin-2-ylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.98067 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.98795 138.5
[M+Na]+ 261.96989 152.1
[M-H]- 237.97339 143.2
[M+NH4]+ 257.01449 156.1
[M+K]+ 277.94383 140.4
[M+H-H2O]+ 221.97793 136.0
[M+HCOO]- 283.97887 159.0
[M+CH3COO]- 297.99452 153.2
[M+Na-2H]- 259.95534 146.9
[M]+ 238.98012 155.9
[M]- 238.98122 155.9
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.