CID 54708

81217-00-7

Structural Information

Molecular Formula
C24H28N4O3
SMILES
CCCCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H28N4O3/c1-4-5-16-20(25-22(29)18-12-8-6-9-13-18)23(30)26-21-17(2)27(3)28(24(21)31)19-14-10-7-11-15-19/h6-15,20H,4-5,16H2,1-3H3,(H,25,29)(H,26,30)
InChIKey
KDSXVPRRXNBCTH-UHFFFAOYSA-N
Compound name
N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxohexan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.21616 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.22344 203.8
[M+Na]+ 443.20538 214.5
[M+NH4]+ 438.24998 207.9
[M+K]+ 459.17932 210.4
[M-H]- 419.20888 207.6
[M+Na-2H]- 441.19083 210.0
[M]+ 420.21561 206.0
[M]- 420.21671 206.0
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.