CID 9843089

Mavacoxib

Structural Information

Molecular Formula
C16H11F4N3O2S
SMILES
C1=CC(=CC=C1C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F)F
InChI
InChI=1S/C16H11F4N3O2S/c17-11-3-1-10(2-4-11)14-9-15(16(18,19)20)22-23(14)12-5-7-13(8-6-12)26(21,24)25/h1-9H,(H2,21,24,25)
InChIKey
TTZNQDOUNXBMJV-UHFFFAOYSA-N
Compound name
4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

20
References

1425
Patents

385.0508 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.05808 183.1
[M+Na]+ 408.04002 194.4
[M-H]- 384.04352 186.1
[M+NH4]+ 403.08462 194.0
[M+K]+ 424.01396 187.1
[M+H-H2O]+ 368.04806 171.5
[M+HCOO]- 430.04900 195.0
[M+CH3COO]- 444.06465 215.4
[M+Na-2H]- 406.02547 183.5
[M]+ 385.05025 180.4
[M]- 385.05135 180.4
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

patents stripe