CID 4638289

618098-08-1

Structural Information

Molecular Formula
C16H14FN3O
SMILES
COC1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C16H14FN3O/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
QQTPARSTQLBZAJ-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)-2-(4-methoxyphenyl)pyrazol-3-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]+ 284.11938 163.4
[M+Na]+ 306.10132 173.3
[M-H]- 282.10482 169.9
[M+NH4]+ 301.14592 177.9
[M+K]+ 322.07526 167.6
[M+H-H2O]+ 266.10936 153.0
[M+HCOO]- 328.11030 186.2
[M+CH3COO]- 342.12595 175.4
[M+Na-2H]- 304.08677 166.1
[M]+ 283.11155 162.8
[M]- 283.11265 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.