CID 3046956

62832-25-1

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCN(C)C)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22ClN3O/c1-15-4-10-18(11-5-15)24-14-19(16-6-8-17(21)9-7-16)20(22-24)25-13-12-23(2)3/h4-11,14H,12-13H2,1-3H3
InChIKey
RJRQWZSEZYHKFI-UHFFFAOYSA-N
Compound name
2-[4-(4-chlorophenyl)-1-(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 186.0
[M+Na]+ 378.13436 194.7
[M-H]- 354.13786 194.6
[M+NH4]+ 373.17896 199.2
[M+K]+ 394.10830 188.7
[M+H-H2O]+ 338.14240 175.5
[M+HCOO]- 400.14334 204.7
[M+CH3COO]- 414.15899 219.3
[M+Na-2H]- 376.11981 186.7
[M]+ 355.14459 192.0
[M]- 355.14569 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.