CID 4082804

(5-amino-1-phenyl-1h-pyrazol-4-yl)(2-chlorophenyl)methanone

Structural Information

Molecular Formula
C16H12ClN3O
SMILES
C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)C3=CC=CC=C3Cl)N
InChI
InChI=1S/C16H12ClN3O/c17-14-9-5-4-8-12(14)15(21)13-10-19-20(16(13)18)11-6-2-1-3-7-11/h1-10H,18H2
InChIKey
LQJMQUAECWBUFE-UHFFFAOYSA-N
Compound name
(5-amino-1-phenylpyrazol-4-yl)-(2-chlorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.0669 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07418 167.1
[M+Na]+ 320.05612 182.7
[M+NH4]+ 315.10072 175.3
[M+K]+ 336.03006 176.4
[M-H]- 296.05962 172.7
[M+Na-2H]- 318.04157 177.3
[M]+ 297.06635 171.2
[M]- 297.06745 171.2
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.