CID 4226230

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

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C16H14ClN3O/c1-21-14-8-6-13(7-9-14)20-16(18)10-15(19-20)11-2-4-12(17)5-3-11/h2-10H,18H2,1H3
InChIKey
QTQACLHBWHXSHS-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2-(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 178.8
[M-H]- 298.07527 175.7
[M+NH4]+ 317.11637 183.1
[M+K]+ 338.04571 172.0
[M+H-H2O]+ 282.07981 159.0
[M+HCOO]- 344.08075 187.3
[M+CH3COO]- 358.09640 180.3
[M+Na-2H]- 320.05722 170.9
[M]+ 299.08200 170.8
[M]- 299.08310 170.8
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.