CID 200720

N-(1-phenylpyrazol-4-yl)acetamide

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]+ 202.09749 142.8
[M+Na]+ 224.07943 150.7
[M-H]- 200.08293 147.3
[M+NH4]+ 219.12403 160.5
[M+K]+ 240.05337 147.8
[M+H-H2O]+ 184.08747 134.3
[M+HCOO]- 246.08841 166.8
[M+CH3COO]- 260.10406 185.6
[M+Na-2H]- 222.06488 148.5
[M]+ 201.08966 142.3
[M]- 201.09076 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