CID 3046950

62832-22-8

Structural Information

Molecular Formula
C22H24ClN3O2
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCN3CCOCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O2/c1-17-2-4-18(5-3-17)21-16-26(20-8-6-19(23)7-9-20)24-22(21)28-15-12-25-10-13-27-14-11-25/h2-9,16H,10-15H2,1H3
InChIKey
MRJPZUHQOBILKO-UHFFFAOYSA-N
Compound name
4-[2-[1-(4-chlorophenyl)-4-(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]+ 398.162976 197.1
[M+Na]+ 420.144918 203.8
[M-H]- 396.148424 205.4
[M+NH4]+ 415.189523 204.5
[M+K]+ 436.118858 197.6
[M+H-H2O]+ 380.152960 184.5
[M+HCOO]- 442.153901 208.1
[M+CH3COO]- 456.169551 205.4
[M+Na-2H]- 418.130366 196.1
[M]+ 397.15515142 198.4
[M]- 397.15624858 198.4
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.