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 186.7
[M+Na]+ 392.11362 202.2
[M+NH4]+ 387.15822 193.7
[M+K]+ 408.08756 196.1
[M-H]- 368.11712 192.0
[M+Na-2H]- 390.09907 195.5
[M]+ 369.12385 190.7
[M]- 369.12495 190.7
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.