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 174.5
[M+Na]+ 349.09588 183.4
[M-H]- 325.09938 181.5
[M+NH4]+ 344.14048 185.0
[M+K]+ 365.06982 179.7
[M+H-H2O]+ 309.10392 164.2
[M+HCOO]- 371.10486 189.9
[M+CH3COO]- 385.12051 185.0
[M+Na-2H]- 347.08133 177.7
[M]+ 326.10611 174.2
[M]- 326.10721 174.2
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.