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]+ 378.217606 194.1
[M+Na]+ 400.199548 199.7
[M-H]- 376.203054 202.7
[M+NH4]+ 395.244153 201.6
[M+K]+ 416.173488 194.7
[M+H-H2O]+ 360.207590 181.6
[M+HCOO]- 422.208531 209.7
[M+CH3COO]- 436.224181 202.6
[M+Na-2H]- 398.184996 193.3
[M]+ 377.20978142 193.6
[M]- 377.21087858 193.6
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.