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]+ 381.155746 188.9
[M+Na]+ 403.137688 195.3
[M-H]- 379.141194 198.5
[M+NH4]+ 398.182293 198.9
[M+K]+ 419.111628 187.7
[M+H-H2O]+ 363.145730 182.8
[M+HCOO]- 425.146671 212.6
[M+CH3COO]- 439.162321 219.0
[M+Na-2H]- 401.123136 191.0
[M]+ 380.14792142 190.6
[M]- 380.14901858 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.