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]+ 266.02873 150.3
[M+Na]+ 288.01067 162.3
[M-H]- 264.01417 158.8
[M+NH4]+ 283.05527 170.3
[M+K]+ 303.98461 151.8
[M+H-H2O]+ 248.01871 148.2
[M+HCOO]- 310.01965 172.9
[M+CH3COO]- 324.03530 198.2
[M+Na-2H]- 285.99612 156.7
[M]+ 265.02090 170.1
[M]- 265.02200 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.