CID 27014

Benzamide, n-antipyrinyl-n-ethyl-o-nitro-

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H20N4O4/c1-4-22(19(25)16-12-8-9-13-17(16)24(27)28)18-14(2)21(3)23(20(18)26)15-10-6-5-7-11-15/h5-13H,4H2,1-3H3
InChIKey
ANFBORKAUZHAPV-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-2-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.14847 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.15575 187.3
[M+Na]+ 403.13769 201.2
[M+NH4]+ 398.18229 192.7
[M+K]+ 419.11163 199.8
[M-H]- 379.14119 193.1
[M+Na-2H]- 401.12314 195.0
[M]+ 380.14792 190.7
[M]- 380.14902 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.