CID 4638283

618091-44-4

Structural Information

Molecular Formula
C17H14FN3O
SMILES
CC1=CC=CC=C1C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C17H14FN3O/c1-11-4-2-3-5-14(11)16(22)15-10-20-21(17(15)19)13-8-6-12(18)7-9-13/h2-10H,19H2,1H3
InChIKey
QHBSBCFGNMCMIY-UHFFFAOYSA-N
Compound name
[5-amino-1-(4-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 167.4
[M+Na]+ 318.10132 176.7
[M-H]- 294.10482 173.8
[M+NH4]+ 313.14592 181.2
[M+K]+ 334.07526 170.8
[M+H-H2O]+ 278.10936 157.0
[M+HCOO]- 340.11030 189.0
[M+CH3COO]- 354.12595 178.8
[M+Na-2H]- 316.08677 168.4
[M]+ 295.11155 165.8
[M]- 295.11265 165.8
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.