CID 3046962

4-(2-((1,4-bis(4-methylphenyl)-1h-pyrazol-3-yl)oxy)ethyl)morpholine monomethanesulfonate

Structural Information

Molecular Formula
C23H27N3O2
SMILES
CC1=CC=C(C=C1)C2=CN(N=C2OCCN3CCOCC3)C4=CC=C(C=C4)C
InChI
InChI=1S/C23H27N3O2/c1-18-3-7-20(8-4-18)22-17-26(21-9-5-19(2)6-10-21)24-23(22)28-16-13-25-11-14-27-15-12-25/h3-10,17H,11-16H2,1-2H3
InChIKey
KZQDCRQPSZEUOT-UHFFFAOYSA-N
Compound name
4-[2-[1,4-bis(4-methylphenyl)pyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.21033 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.6
[M+Na]+ 400.19955 210.1
[M+NH4]+ 395.24415 201.8
[M+K]+ 416.17349 203.3
[M-H]- 376.20305 202.6
[M+Na-2H]- 398.18500 203.7
[M]+ 377.20978 199.2
[M]- 377.21088 199.2
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.