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]+ 365.160806 186.0
[M+Na]+ 387.142748 192.9
[M-H]- 363.146254 194.1
[M+NH4]+ 382.187353 196.6
[M+K]+ 403.116688 188.0
[M+H-H2O]+ 347.150790 175.6
[M+HCOO]- 409.151731 209.0
[M+CH3COO]- 423.167381 220.3
[M+Na-2H]- 385.128196 186.9
[M]+ 364.15298142 187.3
[M]- 364.15407858 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.