CID 4059070

3-(2-chlorophenyl)-1-(3-chlorophenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C15H11Cl2N3
SMILES
C1=CC=C(C(=C1)C2=NN(C(=C2)N)C3=CC(=CC=C3)Cl)Cl
InChI
InChI=1S/C15H11Cl2N3/c16-10-4-3-5-11(8-10)20-15(18)9-14(19-20)12-6-1-2-7-13(12)17/h1-9H,18H2
InChIKey
AOEQKVLRWSDPNQ-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-2-(3-chlorophenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.033 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.04028 167.9
[M+Na]+ 326.02222 179.2
[M-H]- 302.02572 174.3
[M+NH4]+ 321.06682 182.9
[M+K]+ 341.99616 170.9
[M+H-H2O]+ 286.03026 159.0
[M+HCOO]- 348.03120 181.7
[M+CH3COO]- 362.04685 179.5
[M+Na-2H]- 324.00767 170.0
[M]+ 303.03245 169.8
[M]- 303.03355 169.8
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.