CID 3073741

Acetamide, 2-amino-n-(2,3-dihydro-1,5-methyl-3-oxo-2-phenyl-1h-pyrazol-4-yl)-

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CN
InChI
InChI=1S/C13H16N4O2/c1-9-12(15-11(18)8-14)13(19)17(16(9)2)10-6-4-3-5-7-10/h3-7H,8,14H2,1-2H3,(H,15,18)
InChIKey
CAOVTXITBPMFQE-UHFFFAOYSA-N
Compound name
2-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 158.9
[M+Na]+ 283.11654 167.9
[M-H]- 259.12004 163.8
[M+NH4]+ 278.16114 174.4
[M+K]+ 299.09048 164.2
[M+H-H2O]+ 243.12458 150.4
[M+HCOO]- 305.12552 183.0
[M+CH3COO]- 319.14117 201.2
[M+Na-2H]- 281.10199 160.8
[M]+ 260.12677 159.4
[M]- 260.12787 159.4
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.