CID 4962587

2-(3,5-dimethyl-1-phenyl-1h-pyrazol-4-yl)-2-oxoacetamide

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N
InChI
InChI=1S/C13H13N3O2/c1-8-11(12(17)13(14)18)9(2)16(15-8)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,18)
InChIKey
FOKABBOAIIQUAD-UHFFFAOYSA-N
Compound name
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 154.2
[M+Na]+ 266.08999 163.0
[M-H]- 242.09349 158.9
[M+NH4]+ 261.13459 170.3
[M+K]+ 282.06393 159.7
[M+H-H2O]+ 226.09803 146.1
[M+HCOO]- 288.09897 176.4
[M+CH3COO]- 302.11462 196.2
[M+Na-2H]- 264.07544 155.3
[M]+ 243.10022 154.5
[M]- 243.10132 154.5
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.