CID 3046932

Morpholine, 4-(2-((1,4-bis(4-methoxyphenyl)-1h-pyrazol-3-yl)oxy)ethyl)-, monohydrochloride

Structural Information

Molecular Formula
C23H27N3O4
SMILES
COC1=CC=C(C=C1)C2=CN(N=C2OCCN3CCOCC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H27N3O4/c1-27-20-7-3-18(4-8-20)22-17-26(19-5-9-21(28-2)10-6-19)24-23(22)30-16-13-25-11-14-29-15-12-25/h3-10,17H,11-16H2,1-2H3
InChIKey
OFLAVUWJGCXZTO-UHFFFAOYSA-N
Compound name
4-[2-[1,4-bis(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.20016 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 199.0
[M+Na]+ 432.18938 204.0
[M-H]- 408.19288 207.6
[M+NH4]+ 427.23398 204.8
[M+K]+ 448.16332 200.5
[M+H-H2O]+ 392.19742 186.1
[M+HCOO]- 454.19836 214.8
[M+CH3COO]- 468.21401 207.1
[M+Na-2H]- 430.17483 198.5
[M]+ 409.19961 201.2
[M]- 409.20071 201.2
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.