CID 199969

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

Structural Information

Molecular Formula
C15H13N3
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3/c16-15-11-14(12-7-3-1-4-8-12)17-18(15)13-9-5-2-6-10-13/h1-11H,16H2
InChIKey
SXOFMEWDEKEVJU-UHFFFAOYSA-N
Compound name
2,5-diphenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

215
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 151.9
[M+Na]+ 258.10017 160.5
[M-H]- 234.10367 159.2
[M+NH4]+ 253.14477 168.0
[M+K]+ 274.07411 154.9
[M+H-H2O]+ 218.10821 142.5
[M+HCOO]- 280.10915 176.0
[M+CH3COO]- 294.12480 164.5
[M+Na-2H]- 256.08562 157.4
[M]+ 235.11040 149.8
[M]- 235.11150 149.8
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