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 171.8
[M+Na]+ 331.13296 179.6
[M-H]- 307.13646 179.5
[M+NH4]+ 326.17756 185.6
[M+K]+ 347.10690 173.9
[M+H-H2O]+ 291.14100 160.4
[M+HCOO]- 353.14194 196.1
[M+CH3COO]- 367.15759 183.0
[M+Na-2H]- 329.11841 175.1
[M]+ 308.14319 170.8
[M]- 308.14429 170.8
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.