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]+ 322.131676 175.5
[M+Na]+ 344.113618 182.3
[M-H]- 320.117124 179.7
[M+NH4]+ 339.158223 185.9
[M+K]+ 360.087558 177.1
[M+H-H2O]+ 304.121660 165.2
[M+HCOO]- 366.122601 186.1
[M+CH3COO]- 380.138251 184.7
[M+Na-2H]- 342.099066 176.1
[M]+ 321.12385142 175.3
[M]- 321.12494858 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.