CID 2322836

4-fluoro-n-methyl-n'-(3-methyl-1-phenyl-1h-pyrazol-5-yl)benzene-1-carboximidamide

Structural Information

Molecular Formula
C18H17FN4
SMILES
CC1=NN(C(=C1)NC(=NC)C2=CC=C(C=C2)F)C3=CC=CC=C3
InChI
InChI=1S/C18H17FN4/c1-13-12-17(23(22-13)16-6-4-3-5-7-16)21-18(20-2)14-8-10-15(19)11-9-14/h3-12H,1-2H3,(H,20,21)
InChIKey
SHDACFGLZIXQGZ-UHFFFAOYSA-N
Compound name
4-fluoro-N'-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

308.14374 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.15102 173.1
[M+Na]+ 331.13296 186.4
[M+NH4]+ 326.17756 180.4
[M+K]+ 347.10690 180.1
[M-H]- 307.13646 178.3
[M+Na-2H]- 329.11841 183.0
[M]+ 308.14319 176.3
[M]- 308.14429 176.3
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.