CID 2060907

618383-31-6

Structural Information

Molecular Formula
C18H16N2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CO)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O3/c21-12-14-11-20(15-4-2-1-3-5-15)19-18(14)13-6-7-16-17(10-13)23-9-8-22-16/h1-7,10-11,21H,8-9,12H2
InChIKey
LFXGGWQGSIEWLR-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

308.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.12338 171.3
[M+Na]+ 331.10532 187.0
[M+NH4]+ 326.14992 179.4
[M+K]+ 347.07926 181.7
[M-H]- 307.10882 179.1
[M+Na-2H]- 329.09077 179.0
[M]+ 308.11555 175.9
[M]- 308.11665 175.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.