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]+ 286.118606 164.5
[M+Na]+ 308.100548 171.7
[M-H]- 284.104054 170.7
[M+NH4]+ 303.145153 179.5
[M+K]+ 324.074488 170.3
[M+H-H2O]+ 268.108590 155.8
[M+HCOO]- 330.109531 186.6
[M+CH3COO]- 344.125181 205.2
[M+Na-2H]- 306.085996 164.6
[M]+ 285.11078142 167.3
[M]- 285.11187858 167.3
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.