CID 737137

3,4-diphenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H13N3
SMILES
C1=CC=C(C=C1)C2=C(NN=C2N)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3/c16-15-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10H,(H3,16,17,18)
InChIKey
JWPUMLMBTPMEQA-UHFFFAOYSA-N
Compound name
4,5-diphenyl-1H-pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

34
Patents

235.11095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.11823 154.2
[M+Na]+ 258.10017 169.0
[M+NH4]+ 253.14477 162.9
[M+K]+ 274.07411 162.8
[M-H]- 234.10367 160.1
[M+Na-2H]- 256.08562 165.1
[M]+ 235.11040 158.0
[M]- 235.11150 158.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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