CID 3046958

62832-27-3

Structural Information

Molecular Formula
C22H24ClN3O2
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCN3CCOCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O2/c1-17-2-8-20(9-3-17)26-16-21(18-4-6-19(23)7-5-18)22(24-26)28-15-12-25-10-13-27-14-11-25/h2-9,16H,10-15H2,1H3
InChIKey
WHDWVVOTHCXXFW-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-chlorophenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.1557 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.16298 196.8
[M+Na]+ 420.14492 213.3
[M+NH4]+ 415.18952 204.4
[M+K]+ 436.11886 205.6
[M-H]- 396.14842 204.8
[M+Na-2H]- 418.13037 206.0
[M]+ 397.15515 201.8
[M]- 397.15625 201.8
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.