CID 54709

Brn 5171617

Structural Information

Molecular Formula
C24H28N4O3
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H28N4O3/c1-16(2)15-20(25-22(29)18-11-7-5-8-12-18)23(30)26-21-17(3)27(4)28(24(21)31)19-13-9-6-10-14-19/h5-14,16,20H,15H2,1-4H3,(H,25,29)(H,26,30)
InChIKey
QUPUTLURUQMPMS-UHFFFAOYSA-N
Compound name
N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-methyl-1-oxopentan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.21616 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22344 202.9
[M+Na]+ 443.20538 213.2
[M+NH4]+ 438.24998 206.8
[M+K]+ 459.17932 210.0
[M-H]- 419.20888 206.6
[M+Na-2H]- 441.19083 208.9
[M]+ 420.21561 204.9
[M]- 420.21671 204.9
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.