CID 4059064

618091-86-4

Structural Information

Molecular Formula
C17H14FN3O
SMILES
CC1=CC=CC=C1C(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N
InChI
InChI=1S/C17H14FN3O/c1-11-6-2-3-7-12(11)16(22)13-10-20-21(17(13)19)15-9-5-4-8-14(15)18/h2-10H,19H2,1H3
InChIKey
CYZGXLPYDNNTHU-UHFFFAOYSA-N
Compound name
[5-amino-1-(2-fluorophenyl)pyrazol-4-yl]-(2-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1121 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.11938 169.2
[M+Na]+ 318.10132 183.0
[M+NH4]+ 313.14592 176.0
[M+K]+ 334.07526 177.7
[M-H]- 294.10482 173.2
[M+Na-2H]- 316.08677 177.9
[M]+ 295.11155 172.2
[M]- 295.11265 172.2
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.