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]+ 356.152416 186.0
[M+Na]+ 378.134358 194.7
[M-H]- 354.137864 194.6
[M+NH4]+ 373.178963 199.2
[M+K]+ 394.108298 188.7
[M+H-H2O]+ 338.142400 175.5
[M+HCOO]- 400.143341 204.7
[M+CH3COO]- 414.158991 219.3
[M+Na-2H]- 376.119806 186.7
[M]+ 355.14459142 192.0
[M]- 355.14568858 192.0
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.