CID 3070789

4-(2-((5-(4-chlorophenyl)-1h-pyrazol-3-yl)oxy)ethyl)morpholine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C15H18ClN3O2
SMILES
C1COCCN1CCOC2=NNC(=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C15H18ClN3O2/c16-13-3-1-12(2-4-13)14-11-15(18-17-14)21-10-7-19-5-8-20-9-6-19/h1-4,11H,5-10H2,(H,17,18)
InChIKey
UJKYQENPNCNIPU-UHFFFAOYSA-N
Compound name
4-[2-[[5-(4-chlorophenyl)-1H-pyrazol-3-yl]oxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.10876 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.11604 170.7
[M+Na]+ 330.09798 184.4
[M+NH4]+ 325.14258 177.9
[M+K]+ 346.07192 178.8
[M-H]- 306.10148 175.4
[M+Na-2H]- 328.08343 177.7
[M]+ 307.10821 174.1
[M]- 307.10931 174.1
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.