CID 3046940

62832-16-0

Structural Information

Molecular Formula
C23H27N3O3
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCN3CCOCC3)C4=CC=C(C=C4)OC
InChI
InChI=1S/C23H27N3O3/c1-18-3-5-19(6-4-18)22-17-26(20-7-9-21(27-2)10-8-20)24-23(22)29-16-13-25-11-14-28-15-12-25/h3-10,17H,11-16H2,1-2H3
InChIKey
YPXACTJBEWWPOF-UHFFFAOYSA-N
Compound name
4-[2-[1-(4-methoxyphenyl)-4-(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 196.7
[M+Na]+ 416.19445 202.0
[M-H]- 392.19795 205.3
[M+NH4]+ 411.23905 203.3
[M+K]+ 432.16839 197.7
[M+H-H2O]+ 376.20249 184.0
[M+HCOO]- 438.20343 212.4
[M+CH3COO]- 452.21908 205.0
[M+Na-2H]- 414.17990 196.0
[M]+ 393.20468 197.5
[M]- 393.20578 197.5
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.