CID 3840520

618444-48-7

Structural Information

Molecular Formula
C18H15FN2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CO)C4=CC=C(C=C4)F
InChI
InChI=1S/C18H15FN2O3/c19-14-2-4-15(5-3-14)21-10-13(11-22)18(20-21)12-1-6-16-17(9-12)24-8-7-23-16/h1-6,9-10,22H,7-8,11H2
InChIKey
YDAAQHUAVIPKIO-UHFFFAOYSA-N
Compound name
[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.10666 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11394 177.3
[M+Na]+ 349.09588 192.2
[M+NH4]+ 344.14048 184.4
[M+K]+ 365.06982 187.0
[M-H]- 325.09938 183.5
[M+Na-2H]- 347.08133 183.6
[M]+ 326.10611 181.2
[M]- 326.10721 181.2
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.