CID 218373

Brn 0729468

Structural Information

Molecular Formula
C24H27N5O4
SMILES
CCCCNC(=O)C(=O)NC1=CC=CC=C1C(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C
InChI
InChI=1S/C24H27N5O4/c1-4-5-15-25-22(31)23(32)26-19-14-10-9-13-18(19)21(30)27-20-16(2)28(3)29(24(20)33)17-11-7-6-8-12-17/h6-14H,4-5,15H2,1-3H3,(H,25,31)(H,26,32)(H,27,30)
InChIKey
NCNDXBWMUZSOCA-UHFFFAOYSA-N
Compound name
N-butyl-N'-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.2063 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.21358 209.6
[M+Na]+ 472.19552 218.9
[M+NH4]+ 467.24012 212.3
[M+K]+ 488.16946 216.0
[M-H]- 448.19902 213.1
[M+Na-2H]- 470.18097 214.8
[M]+ 449.20575 211.3
[M]- 449.20685 211.3
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.