CID 3046916

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

Structural Information

Molecular Formula
C21H22ClN3O2
SMILES
C1COCCN1CCOC2=NN(C=C2C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H22ClN3O2/c22-18-6-8-19(9-7-18)25-16-20(17-4-2-1-3-5-17)21(23-25)27-15-12-24-10-13-26-14-11-24/h1-9,16H,10-15H2
InChIKey
ZOOUTZLZKQKIQU-UHFFFAOYSA-N
Compound name
4-[2-[1-(4-chlorophenyl)-4-phenylpyrazol-3-yl]oxyethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.14005 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14733 191.8
[M+Na]+ 406.12927 197.9
[M-H]- 382.13277 199.8
[M+NH4]+ 401.17387 199.4
[M+K]+ 422.10321 192.0
[M+H-H2O]+ 366.13731 179.1
[M+HCOO]- 428.13825 203.1
[M+CH3COO]- 442.15390 200.2
[M+Na-2H]- 404.11472 192.0
[M]+ 383.13950 192.3
[M]- 383.14060 192.3
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.