CID 3046918

Morpholine, 4-(2-((1-(4-methylphenyl)-4-phenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C22H25N3O2
SMILES
CC1=CC=C(C=C1)N2C=C(C(=N2)OCCN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c1-18-7-9-20(10-8-18)25-17-21(19-5-3-2-4-6-19)22(23-25)27-16-13-24-11-14-26-15-12-24/h2-10,17H,11-16H2,1H3
InChIKey
RYOVMVCMJQLOCZ-UHFFFAOYSA-N
Compound name
4-[2-[1-(4-methylphenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.20195 190.0
[M+Na]+ 386.18389 205.3
[M+NH4]+ 381.22849 197.4
[M+K]+ 402.15783 198.5
[M-H]- 362.18739 198.0
[M+Na-2H]- 384.16934 199.6
[M]+ 363.19412 194.6
[M]- 363.19522 194.6
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.