CID 3046924

62832-07-9

Structural Information

Molecular Formula
C19H20ClN3O
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C19H20ClN3O/c1-22(2)12-13-24-19-18(15-8-10-16(20)11-9-15)14-23(21-19)17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3
InChIKey
IQWQPWOZFWSWNL-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1295 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.13678 181.0
[M+Na]+ 364.11872 196.8
[M+NH4]+ 359.16332 189.5
[M+K]+ 380.09266 189.3
[M-H]- 340.12222 187.4
[M+Na-2H]- 362.10417 191.5
[M]+ 341.12895 185.5
[M]- 341.13005 185.5
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.