CID 27111

Benzamide, n-antipyrinyl-n-ethyl-p-nitro-

Structural Information

Molecular Formula
C20H20N4O4
SMILES
CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C20H20N4O4/c1-4-22(19(25)15-10-12-17(13-11-15)24(27)28)18-14(2)21(3)23(20(18)26)16-8-6-5-7-9-16/h5-13H,4H2,1-3H3
InChIKey
AWMLKWMDUVAIHI-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-N-ethyl-4-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 188.9
[M+Na]+ 403.13769 195.3
[M-H]- 379.14119 198.5
[M+NH4]+ 398.18229 198.9
[M+K]+ 419.11163 187.7
[M+H-H2O]+ 363.14573 182.8
[M+HCOO]- 425.14667 212.6
[M+CH3COO]- 439.16232 219.0
[M+Na-2H]- 401.12314 191.0
[M]+ 380.14792 190.6
[M]- 380.14902 190.6
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.