CID 3052595

3(2h)-pyridazinone, 6-(2,3-dimethylphenoxy)-2-(2-hydroxyethyl)-

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CC1=C(C(=CC=C1)OC2=NN(C(=O)C=C2)CCO)C
InChI
InChI=1S/C14H16N2O3/c1-10-4-3-5-12(11(10)2)19-13-6-7-14(18)16(15-13)8-9-17/h3-7,17H,8-9H2,1-2H3
InChIKey
YUEOFUXWHOYOJG-UHFFFAOYSA-N
Compound name
6-(2,3-dimethylphenoxy)-2-(2-hydroxyethyl)pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.2
[M+Na]+ 283.10532 174.3
[M+NH4]+ 278.14992 165.8
[M+K]+ 299.07926 167.6
[M-H]- 259.10882 161.6
[M+Na-2H]- 281.09077 166.9
[M]+ 260.11555 162.0
[M]- 260.11665 162.0
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.