CID 77747

1-(4-aminophenyl)-3-ethoxy-2-pyrazolin-5-one

Structural Information

Molecular Formula
C11H13N3O2
SMILES
CCOC1=NN(C(=O)C1)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O2/c1-2-16-10-7-11(15)14(13-10)9-5-3-8(12)4-6-9/h3-6H,2,7,12H2,1H3
InChIKey
IZFXFWHTVIURLG-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-5-ethoxy-4H-pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

219.10077 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.10805 148.5
[M+Na]+ 242.08999 160.3
[M+NH4]+ 237.13459 155.5
[M+K]+ 258.06393 156.5
[M-H]- 218.09349 150.8
[M+Na-2H]- 240.07544 154.8
[M]+ 219.10022 150.6
[M]- 219.10132 150.6
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