CID 3046974

1-propanamine, 3-((4-(4-chlorophenyl)-1-phenyl-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-, monomethanesulfonate

Structural Information

Molecular Formula
C20H22ClN3O
SMILES
CN(C)CCCOC1=NN(C=C1C2=CC=CC=C2Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H22ClN3O/c1-23(2)13-8-14-25-20-18(17-11-6-7-12-19(17)21)15-24(22-20)16-9-4-3-5-10-16/h3-7,9-12,15H,8,13-14H2,1-2H3
InChIKey
UJVRNBCYXNNBNL-UHFFFAOYSA-N
Compound name
3-[4-(2-chlorophenyl)-1-phenylpyrazol-3-yl]oxy-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.14514 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.15242 185.7
[M+Na]+ 378.13436 193.4
[M-H]- 354.13786 193.9
[M+NH4]+ 373.17896 198.6
[M+K]+ 394.10830 187.4
[M+H-H2O]+ 338.14240 174.9
[M+HCOO]- 400.14334 204.4
[M+CH3COO]- 414.15899 218.1
[M+Na-2H]- 376.11981 187.1
[M]+ 355.14459 191.2
[M]- 355.14569 191.2
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.