CID 3046954

62832-24-0

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCN3CCOCC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H27N3O3/c1-18-3-7-20(8-4-18)26-17-22(19-5-9-21(27-2)10-6-19)23(24-26)29-16-13-25-11-14-28-15-12-25/h3-10,17H,11-16H2,1-2H3
InChIKey
DNGGSZGLUDMRPQ-UHFFFAOYSA-N
Compound name
4-[2-[4-(4-methoxyphenyl)-1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.20523 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.21251 197.7
[M+Na]+ 416.19445 212.6
[M+NH4]+ 411.23905 204.3
[M+K]+ 432.16839 206.4
[M-H]- 392.19795 205.2
[M+Na-2H]- 414.17990 206.3
[M]+ 393.20468 202.0
[M]- 393.20578 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.