CID 54704

Benzamide, n-((antipyrinylcarbamoyl)methyl)-

Structural Information

Molecular Formula
C20H20N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=CC=C3
InChI
InChI=1S/C20H20N4O3/c1-14-18(20(27)24(23(14)2)16-11-7-4-8-12-16)22-17(25)13-21-19(26)15-9-5-3-6-10-15/h3-12H,13H2,1-2H3,(H,21,26)(H,22,25)
InChIKey
URWSDMBJVGVIQC-UHFFFAOYSA-N
Compound name
N-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.15353 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 186.9
[M+Na]+ 387.14275 198.9
[M+NH4]+ 382.18735 191.9
[M+K]+ 403.11669 194.9
[M-H]- 363.14625 191.2
[M+Na-2H]- 385.12820 194.5
[M]+ 364.15298 189.5
[M]- 364.15408 189.5
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.