CID 209331

Pyrazole, 5-bromo-4-(dimethylamino)-1-phenyl-

Structural Information

Molecular Formula
C11H12BrN3
SMILES
CN(C)C1=C(N(N=C1)C2=CC=CC=C2)Br
InChI
InChI=1S/C11H12BrN3/c1-14(2)10-8-13-15(11(10)12)9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
VIGAECVWMIFLBT-UHFFFAOYSA-N
Compound name
5-bromo-N,N-dimethyl-1-phenylpyrazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.02145 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.028726 150.3
[M+Na]+ 288.010668 162.3
[M-H]- 264.014174 158.8
[M+NH4]+ 283.055273 170.3
[M+K]+ 303.984608 151.8
[M+H-H2O]+ 248.018710 148.2
[M+HCOO]- 310.019651 172.9
[M+CH3COO]- 324.035301 198.2
[M+Na-2H]- 285.996116 156.7
[M]+ 265.02090142 170.1
[M]- 265.02199858 170.1
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.