CID 59757

Tepoxalin

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O
InChI
InChI=1S/C20H20ClN3O3/c1-23(26)20(25)12-7-16-13-19(14-3-5-15(21)6-4-14)24(22-16)17-8-10-18(27-2)11-9-17/h3-6,8-11,13,26H,7,12H2,1-2H3
InChIKey
XYKWNRUXCOIMFZ-UHFFFAOYSA-N
Compound name
3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-N-hydroxy-N-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

77
References

7420
Patents

385.11932 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 190.5
[M+Na]+ 408.10854 204.6
[M+NH4]+ 403.15314 196.9
[M+K]+ 424.08248 199.3
[M-H]- 384.11204 195.1
[M+Na-2H]- 406.09399 198.7
[M]+ 385.11877 194.0
[M]- 385.11987 194.0
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

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