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 178.8
[M+Na]+ 365.06634 188.2
[M-H]- 341.06984 186.8
[M+NH4]+ 360.11094 189.5
[M+K]+ 381.04028 183.8
[M+H-H2O]+ 325.07438 169.6
[M+HCOO]- 387.07532 190.5
[M+CH3COO]- 401.09097 189.4
[M+Na-2H]- 363.05179 181.9
[M]+ 342.07657 181.7
[M]- 342.07767 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.