CID 170394

Benzamide, 3-amino-n-[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1h-pyrazol-3-yl]-

Structural Information

Molecular Formula
C16H11Cl3N4O2
SMILES
C1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)C3=CC(=CC=C3)N
InChI
InChI=1S/C16H11Cl3N4O2/c17-9-5-11(18)15(12(19)6-9)23-14(24)7-13(22-23)21-16(25)8-2-1-3-10(20)4-8/h1-6H,7,20H2,(H,21,22,25)
InChIKey
FFSCMMOUQKDVKY-UHFFFAOYSA-N
Compound name
3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

395.99475 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.00203 189.1
[M+Na]+ 418.98397 199.6
[M-H]- 394.98747 194.8
[M+NH4]+ 414.02857 200.4
[M+K]+ 434.95791 191.9
[M+H-H2O]+ 378.99201 181.0
[M+HCOO]- 440.99295 196.6
[M+CH3COO]- 455.00860 198.3
[M+Na-2H]- 416.96942 186.9
[M]+ 395.99420 191.3
[M]- 395.99530 191.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe