CID 80365044

4-bromo-1-(pyrimidin-2-yl)-1h-pyrazol-5-amine

Structural Information

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

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No patent data available for this compound.