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]+ 343.084396 178.8
[M+Na]+ 365.066338 188.2
[M-H]- 341.069844 186.8
[M+NH4]+ 360.110943 189.5
[M+K]+ 381.040278 183.8
[M+H-H2O]+ 325.074380 169.6
[M+HCOO]- 387.075321 190.5
[M+CH3COO]- 401.090971 189.4
[M+Na-2H]- 363.051786 181.9
[M]+ 342.07657142 181.7
[M]- 342.07766858 181.7
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.