CID 4103686

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

Structural Information

Molecular Formula
C16H14FN3
SMILES
CC1=CC(=CC=C1)C2=NN(C(=C2)N)C3=CC=C(C=C3)F
InChI
InChI=1S/C16H14FN3/c1-11-3-2-4-12(9-11)15-10-16(18)20(19-15)14-7-5-13(17)6-8-14/h2-10H,18H2,1H3
InChIKey
BIJSBZCJQGAYLA-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-(3-methylphenyl)pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1172 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.12448 160.2
[M+Na]+ 290.10642 170.3
[M-H]- 266.10992 166.7
[M+NH4]+ 285.15102 175.5
[M+K]+ 306.08036 164.0
[M+H-H2O]+ 250.11446 150.0
[M+HCOO]- 312.11540 182.9
[M+CH3COO]- 326.13105 172.4
[M+Na-2H]- 288.09187 163.0
[M]+ 267.11665 158.2
[M]- 267.11775 158.2
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.