CID 2517692

3-(4-cyclohexylphenyl)-1-phenyl-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C21H23N3
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3=NN(C(=C3)N)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3/c22-21-15-20(23-24(21)19-9-5-2-6-10-19)18-13-11-17(12-14-18)16-7-3-1-4-8-16/h2,5-6,9-16H,1,3-4,7-8,22H2
InChIKey
GVIJTRBXAFYKPX-UHFFFAOYSA-N
Compound name
5-(4-cyclohexylphenyl)-2-phenylpyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1892 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.19648 176.7
[M+Na]+ 340.17842 181.6
[M-H]- 316.18192 185.5
[M+NH4]+ 335.22302 188.6
[M+K]+ 356.15236 174.6
[M+H-H2O]+ 300.18646 165.3
[M+HCOO]- 362.18740 195.5
[M+CH3COO]- 376.20305 186.0
[M+Na-2H]- 338.16387 177.2
[M]+ 317.18865 169.9
[M]- 317.18975 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.