CID 27109

Benzamide, n-antipyrinyl-p-chloro-n-ethyl-

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H20ClN3O2/c1-4-23(19(25)15-10-12-16(21)13-11-15)18-14(2)22(3)24(20(18)26)17-8-6-5-7-9-17/h5-13H,4H2,1-3H3
InChIKey
FNQVEEGAVUPKDF-UHFFFAOYSA-N
Compound name
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.1244 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 187.3
[M+Na]+ 392.11362 197.1
[M-H]- 368.11712 196.7
[M+NH4]+ 387.15822 200.1
[M+K]+ 408.08756 191.3
[M+H-H2O]+ 352.12166 177.5
[M+HCOO]- 414.12260 205.7
[M+CH3COO]- 428.13825 221.4
[M+Na-2H]- 390.09907 186.4
[M]+ 369.12385 193.2
[M]- 369.12495 193.2
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

No patent data available for this compound.