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
1-(3-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-5-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]+ 300.089826 168.3
[M+Na]+ 322.071768 178.8
[M-H]- 298.075274 175.7
[M+NH4]+ 317.116373 183.1
[M+K]+ 338.045708 172.0
[M+H-H2O]+ 282.079810 159.0
[M+HCOO]- 344.080751 187.3
[M+CH3COO]- 358.096401 180.3
[M+Na-2H]- 320.057216 170.9
[M]+ 299.08200142 170.8
[M]- 299.08309858 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.