CID 54706

Brn 5161402

Structural Information

Molecular Formula
C22H24N4O3
SMILES
CCC(C(=O)NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C22H24N4O3/c1-4-18(23-20(27)16-11-7-5-8-12-16)21(28)24-19-15(2)25(3)26(22(19)29)17-13-9-6-10-14-17/h5-14,18H,4H2,1-3H3,(H,23,27)(H,24,28)
InChIKey
QHKZSPDLCANHFO-UHFFFAOYSA-N
Compound name
N-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxobutan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.18484 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.19212 195.0
[M+Na]+ 415.17406 206.1
[M+NH4]+ 410.21866 199.5
[M+K]+ 431.14800 202.6
[M-H]- 391.17756 199.0
[M+Na-2H]- 413.15951 201.8
[M]+ 392.18429 197.3
[M]- 392.18539 197.3
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.