CID 200720

Acetamide, n-(1-phenylpyrazol-4-yl)-

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC(=O)NC1=CN(N=C1)C2=CC=CC=C2
InChI
InChI=1S/C11H11N3O/c1-9(15)13-10-7-12-14(8-10)11-5-3-2-4-6-11/h2-8H,1H3,(H,13,15)
InChIKey
ABVBPVQLIRTXHZ-UHFFFAOYSA-N
Compound name
N-(1-phenylpyrazol-4-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

201.09021 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.097486 142.8
[M+Na]+ 224.079428 150.7
[M-H]- 200.082934 147.3
[M+NH4]+ 219.124033 160.5
[M+K]+ 240.053368 147.8
[M+H-H2O]+ 184.087470 134.3
[M+HCOO]- 246.088411 166.8
[M+CH3COO]- 260.104061 185.6
[M+Na-2H]- 222.064876 148.5
[M]+ 201.08966142 142.3
[M]- 201.09075858 142.3
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