CID 2811599

Ns00018148

Structural Information

Molecular Formula
C19H16F3N3O2
SMILES
CN1C(=C(C(=N1)C(F)(F)F)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H16F3N3O2/c1-25-17(23-18(26)13-8-10-14(27-2)11-9-13)15(12-6-4-3-5-7-12)16(24-25)19(20,21)22/h3-11H,1-2H3,(H,23,26)
InChIKey
FWNGFVVEIANHJK-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

375.11948 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.12676 185.5
[M+Na]+ 398.10870 194.3
[M-H]- 374.11220 189.7
[M+NH4]+ 393.15330 196.3
[M+K]+ 414.08264 188.6
[M+H-H2O]+ 358.11674 173.2
[M+HCOO]- 420.11768 203.4
[M+CH3COO]- 434.13333 218.9
[M+Na-2H]- 396.09415 186.3
[M]+ 375.11893 184.1
[M]- 375.12003 184.1
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.