CID 3484982

618383-37-2

Structural Information

Molecular Formula
C18H15ClN2O3
SMILES
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3CO)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H15ClN2O3/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
DPMPGOFVVPOQNV-UHFFFAOYSA-N
Compound name
[1-(4-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.07712 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.08440 178.0
[M+Na]+ 365.06634 195.0
[M+NH4]+ 360.11094 186.4
[M+K]+ 381.04028 188.8
[M-H]- 341.06984 186.0
[M+Na-2H]- 363.05179 185.5
[M]+ 342.07657 183.2
[M]- 342.07767 183.2
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.