CID 3047062

Ethanamine, 2-((1,4-bis(4-chlorophenyl)-1h-pyrazol-3-yl)oxy)-n,n-dimethyl-, monomethanesulfonate

Structural Information

Molecular Formula
C19H19Cl2N3O
SMILES
CN(C)CCOC1=NN(C=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H19Cl2N3O/c1-23(2)11-12-25-19-18(14-3-5-15(20)6-4-14)13-24(22-19)17-9-7-16(21)8-10-17/h3-10,13H,11-12H2,1-2H3
InChIKey
CQRIQGDBZCFCBC-UHFFFAOYSA-N
Compound name
2-[1,4-bis(4-chlorophenyl)pyrazol-3-yl]oxy-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.0905 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.09778 187.5
[M+Na]+ 398.07972 204.0
[M+NH4]+ 393.12432 195.9
[M+K]+ 414.05366 195.9
[M-H]- 374.08322 193.6
[M+Na-2H]- 396.06517 197.4
[M]+ 375.08995 192.3
[M]- 375.09105 192.3
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.