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]+ 261.134596 158.9
[M+Na]+ 283.116538 167.9
[M-H]- 259.120044 163.8
[M+NH4]+ 278.161143 174.4
[M+K]+ 299.090478 164.2
[M+H-H2O]+ 243.124580 150.4
[M+HCOO]- 305.125521 183.0
[M+CH3COO]- 319.141171 201.2
[M+Na-2H]- 281.101986 160.8
[M]+ 260.12677142 159.4
[M]- 260.12786858 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.