CID 3046946

Morpholine, 4-(2-((1,4-bis(4-chlorophenyl)-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C21H21Cl2N3O2
SMILES
C1COCCN1CCOC2=NN(C=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H21Cl2N3O2/c22-17-3-1-16(2-4-17)20-15-26(19-7-5-18(23)6-8-19)24-21(20)28-14-11-25-9-12-27-13-10-25/h1-8,15H,9-14H2
InChIKey
ROMCCUWDDFHLGJ-UHFFFAOYSA-N
Compound name
4-[2-[1,4-bis(4-chlorophenyl)pyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.10107 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10835 198.1
[M+Na]+ 440.09029 215.2
[M+NH4]+ 435.13489 205.9
[M+K]+ 456.06423 207.0
[M-H]- 416.09379 205.9
[M+Na-2H]- 438.07574 207.4
[M]+ 417.10052 203.5
[M]- 417.10162 203.5
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.