CID 3013456

Schembl5555486

Structural Information

Molecular Formula
C16H20Cl2N2O2
SMILES
CCC1=C(N(N=C1CCO)C(C)C)OC2=CC(=CC(=C2)Cl)Cl
InChI
InChI=1S/C16H20Cl2N2O2/c1-4-14-15(5-6-21)19-20(10(2)3)16(14)22-13-8-11(17)7-12(18)9-13/h7-10,21H,4-6H2,1-3H3
InChIKey
KWRVBGPEENBQQE-UHFFFAOYSA-N
Compound name
2-[5-(3,5-dichlorophenoxy)-4-ethyl-1-propan-2-ylpyrazol-3-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

342.09018 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.09746 177.0
[M+Na]+ 365.07940 187.3
[M-H]- 341.08290 179.7
[M+NH4]+ 360.12400 191.1
[M+K]+ 381.05334 180.7
[M+H-H2O]+ 325.08744 169.9
[M+HCOO]- 387.08838 186.9
[M+CH3COO]- 401.10403 209.3
[M+Na-2H]- 363.06485 175.1
[M]+ 342.08963 183.8
[M]- 342.09073 183.8
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

patents stripe