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]+ 244.108046 154.2
[M+Na]+ 266.089988 163.0
[M-H]- 242.093494 158.9
[M+NH4]+ 261.134593 170.3
[M+K]+ 282.063928 159.7
[M+H-H2O]+ 226.098030 146.1
[M+HCOO]- 288.098971 176.4
[M+CH3COO]- 302.114621 196.2
[M+Na-2H]- 264.075436 155.3
[M]+ 243.10022142 154.5
[M]- 243.10131858 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.