CID 3046944

62832-18-2

Structural Information

Molecular Formula
C22H24ClN3O3
SMILES
COC1=CC=C(C=C1)C2=CN(N=C2OCCN3CCOCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O3/c1-27-20-8-2-17(3-9-20)21-16-26(19-6-4-18(23)5-7-19)24-22(21)29-15-12-25-10-13-28-14-11-25/h2-9,16H,10-15H2,1H3
InChIKey
YOWOPWGYKQQRCD-UHFFFAOYSA-N
Compound name
4-[2-[1-(4-chlorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.1506 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.15788 199.5
[M+Na]+ 436.13982 215.5
[M+NH4]+ 431.18442 206.6
[M+K]+ 452.11376 208.5
[M-H]- 412.14332 207.1
[M+Na-2H]- 434.12527 208.4
[M]+ 413.15005 204.4
[M]- 413.15115 204.4
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.