CID 4060160

1-(4-bromophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C16H14BrN3O
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)Br
InChI
InChI=1S/C16H14BrN3O/c1-21-14-8-2-11(3-9-14)15-10-16(18)20(19-15)13-6-4-12(17)5-7-13/h2-10H,18H2,1H3
InChIKey
GYGFKSZQRLTVQO-UHFFFAOYSA-N
Compound name
2-(4-bromophenyl)-5-(4-methoxyphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.032 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.03928 175.5
[M+Na]+ 366.02122 180.8
[M+NH4]+ 361.06582 179.8
[M+K]+ 381.99516 180.5
[M-H]- 342.02472 179.2
[M+Na-2H]- 364.00667 181.2
[M]+ 343.03145 176.2
[M]- 343.03255 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.