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
2
Annotation Hits

10
References

35
Patents

235.11095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.118226 151.9
[M+Na]+ 258.100168 160.1
[M-H]- 234.103674 157.8
[M+NH4]+ 253.144773 167.3
[M+K]+ 274.074108 153.6
[M+H-H2O]+ 218.108210 142.8
[M+HCOO]- 280.109151 174.5
[M+CH3COO]- 294.124801 163.8
[M+Na-2H]- 256.085616 157.0
[M]+ 235.11040142 148.0
[M]- 235.11149858 148.0
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

patents stripe