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]+ 398.16298 197.1
[M+Na]+ 420.14492 203.8
[M-H]- 396.14842 205.4
[M+NH4]+ 415.18952 204.5
[M+K]+ 436.11886 197.6
[M+H-H2O]+ 380.15296 184.5
[M+HCOO]- 442.15390 208.1
[M+CH3COO]- 456.16955 205.4
[M+Na-2H]- 418.13037 196.1
[M]+ 397.15515 198.4
[M]- 397.15625 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.