CID 3024904

Brn 0822979

Structural Information

Molecular Formula
C15H15N3O3
SMILES
CC(=O)N1C=C(C(=N1)N(C(=O)C)C(=O)C)C2=CC=CC=C2
InChI
InChI=1S/C15H15N3O3/c1-10(19)17-9-14(13-7-5-4-6-8-13)15(16-17)18(11(2)20)12(3)21/h4-9H,1-3H3
InChIKey
UYRGCSACMLZUBN-UHFFFAOYSA-N
Compound name
N-acetyl-N-(1-acetyl-4-phenylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11133 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.11861 164.4
[M+Na]+ 308.10055 174.9
[M+NH4]+ 303.14515 169.7
[M+K]+ 324.07449 173.1
[M-H]- 284.10405 165.6
[M+Na-2H]- 306.08600 170.0
[M]+ 285.11078 165.8
[M]- 285.11188 165.8
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.