CID 3046679

Pyrazole, 3-acetamido-4-phenyl-

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC(=O)NC1=C(C=NN1)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-8(15)13-11-10(7-12-14-11)9-5-3-2-4-6-9/h2-7H,1H3,(H2,12,13,14,15)
InChIKey
NRCCSMDEQBHBTL-UHFFFAOYSA-N
Compound name
N-(4-phenyl-1H-pyrazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

201.09021 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 143.2
[M+Na]+ 224.079428 150.7
[M-H]- 200.082934 146.3
[M+NH4]+ 219.124033 160.2
[M+K]+ 240.053368 146.9
[M+H-H2O]+ 184.087470 135.0
[M+HCOO]- 246.088411 165.8
[M+CH3COO]- 260.104061 183.1
[M+Na-2H]- 222.064876 148.4
[M]+ 201.08966142 140.9
[M]- 201.09075858 140.9
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

patents stripe