CID 4243632

1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-5-amine

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C16H14ClN3O/c1-21-14-7-5-11(6-8-14)15-10-16(18)20(19-15)13-4-2-3-12(17)9-13/h2-10H,18H2,1H3
InChIKey
JGXJRQQVZANLKK-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08255 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.08983 168.3
[M+Na]+ 322.07177 184.7
[M+NH4]+ 317.11637 176.9
[M+K]+ 338.04571 177.8
[M-H]- 298.07527 174.4
[M+Na-2H]- 320.05722 178.7
[M]+ 299.08200 172.8
[M]- 299.08310 172.8
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.