CID 3047038

62833-13-0

Structural Information

Molecular Formula
C19H20ClN3O
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN3O/c1-22(2)12-13-24-19-18(15-6-4-3-5-7-15)14-23(21-19)17-10-8-16(20)9-11-17/h3-11,14H,12-13H2,1-2H3
InChIKey
JDGPTJZLIXVLDL-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-4-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 181.1
[M+Na]+ 364.11872 189.4
[M-H]- 340.12222 189.5
[M+NH4]+ 359.16332 194.6
[M+K]+ 380.09266 183.6
[M+H-H2O]+ 324.12676 170.6
[M+HCOO]- 386.12770 200.2
[M+CH3COO]- 400.14335 192.2
[M+Na-2H]- 362.10417 183.1
[M]+ 341.12895 186.3
[M]- 341.13005 186.3
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.