CID 710097

(z)-4-((2-fluorobenzylidene)amino)-1,5-dimethyl-2-phenyl-1h-pyrazol-3(2h)-one

Structural Information

Molecular Formula
C18H16FN3O
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=CC=C3F
InChI
InChI=1S/C18H16FN3O/c1-13-17(20-12-14-8-6-7-11-16(14)19)18(23)22(21(13)2)15-9-4-3-5-10-15/h3-12H,1-2H3
InChIKey
WLRVCWPNIXYXEH-UHFFFAOYSA-N
Compound name
4-[(2-fluorophenyl)methylideneamino]-1,5-dimethyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

309.12775 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13503 171.2
[M+Na]+ 332.11697 182.1
[M-H]- 308.12047 179.6
[M+NH4]+ 327.16157 185.8
[M+K]+ 348.09091 176.0
[M+H-H2O]+ 292.12501 160.3
[M+HCOO]- 354.12595 195.7
[M+CH3COO]- 368.14160 210.8
[M+Na-2H]- 330.10242 173.4
[M]+ 309.12720 172.9
[M]- 309.12830 172.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.