CID 65743

N-(2,3-dimethyl-5-oxo-1-phenyl-3-pyrazolin-4-yl)acetamide

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C
InChI
InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKey
OIAGWXKSCXPNNZ-UHFFFAOYSA-N
Compound name
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

26
References

69
Patents

245.11642 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 154.2
[M+Na]+ 268.10564 164.2
[M-H]- 244.10914 159.6
[M+NH4]+ 263.15024 171.0
[M+K]+ 284.07958 160.8
[M+H-H2O]+ 228.11368 146.2
[M+HCOO]- 290.11462 177.9
[M+CH3COO]- 304.13027 196.5
[M+Na-2H]- 266.09109 156.7
[M]+ 245.11587 156.4
[M]- 245.11697 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe