CID 13303397

Ethanone, 1-(4-amino-5-phenyl-1h-pyrazol-3-yl)-

Structural Information

Molecular Formula
C11H11N3O
SMILES
CC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N
InChI
InChI=1S/C11H11N3O/c1-7(15)10-9(12)11(14-13-10)8-5-3-2-4-6-8/h2-6H,12H2,1H3,(H,13,14)
InChIKey
RTDIMUUEPOFOEK-UHFFFAOYSA-N
Compound name
1-(4-amino-3-phenyl-1H-pyrazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.09749 143.5
[M+Na]+ 224.07943 152.0
[M-H]- 200.08293 146.6
[M+NH4]+ 219.12403 160.6
[M+K]+ 240.05337 147.8
[M+H-H2O]+ 184.08747 135.7
[M+HCOO]- 246.08841 165.5
[M+CH3COO]- 260.10406 184.3
[M+Na-2H]- 222.06488 147.0
[M]+ 201.08966 140.7
[M]- 201.09076 140.7
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.