CID 3046936

62832-13-7

Structural Information

Molecular Formula
C22H24ClN3O3
SMILES
COC1=CC=C(C=C1)N2C=C(C(=N2)OCCN3CCOCC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H24ClN3O3/c1-27-20-8-6-19(7-9-20)26-16-21(17-2-4-18(23)5-3-17)22(24-26)29-15-12-25-10-13-28-14-11-25/h2-9,16H,10-15H2,1H3
InChIKey
LKGVJGRTLNVISS-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-chlorophenyl)-1-(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 199.3
[M+Na]+ 436.13982 205.7
[M-H]- 412.14332 207.7
[M+NH4]+ 431.18442 205.9
[M+K]+ 452.11376 200.3
[M+H-H2O]+ 396.14786 186.6
[M+HCOO]- 458.14880 210.5
[M+CH3COO]- 472.16445 207.5
[M+Na-2H]- 434.12527 198.5
[M]+ 413.15005 202.0
[M]- 413.15115 202.0
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.