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]+ 410.207436 199.0
[M+Na]+ 432.189378 204.0
[M-H]- 408.192884 207.6
[M+NH4]+ 427.233983 204.8
[M+K]+ 448.163318 200.5
[M+H-H2O]+ 392.197420 186.1
[M+HCOO]- 454.198361 214.8
[M+CH3COO]- 468.214011 207.1
[M+Na-2H]- 430.174826 198.5
[M]+ 409.19961142 201.2
[M]- 409.20070858 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.