CID 3070801

86871-73-0

Structural Information

Molecular Formula
C16H20ClN3O2
SMILES
CC1=C(NN=C1OCCN2CCOCC2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C16H20ClN3O2/c1-12-15(13-2-4-14(17)5-3-13)18-19-16(12)22-11-8-20-6-9-21-10-7-20/h2-5H,6-11H2,1H3,(H,18,19)
InChIKey
BVWIETFYFCVAQD-UHFFFAOYSA-N
Compound name
4-[2-[[5-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-yl]oxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.1244 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13168 175.5
[M+Na]+ 344.11362 182.3
[M-H]- 320.11712 179.7
[M+NH4]+ 339.15822 185.9
[M+K]+ 360.08756 177.1
[M+H-H2O]+ 304.12166 165.2
[M+HCOO]- 366.12260 186.1
[M+CH3COO]- 380.13825 184.7
[M+Na-2H]- 342.09907 176.1
[M]+ 321.12385 175.3
[M]- 321.12495 175.3
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.