CID 27110

Benzamide, n-antipyrinyl-n-ethyl-

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CCN(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c1-4-22(19(24)16-11-7-5-8-12-16)18-15(2)21(3)23(20(18)25)17-13-9-6-10-14-17/h5-14H,4H2,1-3H3
InChIKey
AMBDLXWGEDHNES-UHFFFAOYSA-N
Compound name
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

335.1634 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 180.0
[M+Na]+ 358.15262 188.2
[M-H]- 334.15612 189.3
[M+NH4]+ 353.19722 193.0
[M+K]+ 374.12656 183.9
[M+H-H2O]+ 318.16066 169.7
[M+HCOO]- 380.16160 203.1
[M+CH3COO]- 394.17725 216.7
[M+Na-2H]- 356.13807 180.4
[M]+ 335.16285 183.2
[M]- 335.16395 183.2
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.