CID 3046948

62832-21-7

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCN(C)C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3O/c1-15-4-6-16(7-5-15)19-14-24(18-10-8-17(21)9-11-18)22-20(19)25-13-12-23(2)3/h4-11,14H,12-13H2,1-3H3
InChIKey
HYQOZYOHQVRMOR-UHFFFAOYSA-N
Compound name
2-[1-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14514 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 185.7
[M+Na]+ 378.13436 201.7
[M+NH4]+ 373.17896 194.0
[M+K]+ 394.10830 194.1
[M-H]- 354.13786 192.2
[M+Na-2H]- 376.11981 195.7
[M]+ 355.14459 190.3
[M]- 355.14569 190.3
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.