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 186.0
[M+Na]+ 387.14275 192.9
[M-H]- 363.14625 194.1
[M+NH4]+ 382.18735 196.6
[M+K]+ 403.11669 188.0
[M+H-H2O]+ 347.15079 175.6
[M+HCOO]- 409.15173 209.0
[M+CH3COO]- 423.16738 220.3
[M+Na-2H]- 385.12820 186.9
[M]+ 364.15298 187.3
[M]- 364.15408 187.3
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.