CID 4056155

(5-amino-1-phenyl-1h-pyrazol-4-yl)(4-methoxyphenyl)methanone

Structural Information

Molecular Formula
C17H15N3O2
SMILES
COC1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H15N3O2/c1-22-14-9-7-12(8-10-14)16(21)15-11-19-20(17(15)18)13-5-3-2-4-6-13/h2-11H,18H2,1H3
InChIKey
VZVJLHGICYOOKN-UHFFFAOYSA-N
Compound name
(5-amino-1-phenylpyrazol-4-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
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References

0
Patents

293.11642 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 168.4
[M+Na]+ 316.10564 182.4
[M+NH4]+ 311.15024 175.5
[M+K]+ 332.07958 177.5
[M-H]- 292.10914 173.4
[M+Na-2H]- 314.09109 177.8
[M]+ 293.11587 171.7
[M]- 293.11697 171.7
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.