CID 4535462

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

Structural Information

Molecular Formula
C16H14FN3O
SMILES
COC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3O/c1-21-14-8-2-11(3-9-14)15-10-16(18)20(19-15)13-6-4-12(17)5-7-13/h2-10H,18H2,1H3
InChIKey
DCZRWRXWOUNSAY-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.1121 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.119376 163.4
[M+Na]+ 306.101318 173.3
[M-H]- 282.104824 169.9
[M+NH4]+ 301.145923 177.9
[M+K]+ 322.075258 167.6
[M+H-H2O]+ 266.109360 153.0
[M+HCOO]- 328.110301 186.2
[M+CH3COO]- 342.125951 175.4
[M+Na-2H]- 304.086766 166.1
[M]+ 283.11155142 162.8
[M]- 283.11264858 162.8
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.