CID 3070778

3-phenyl-4-methyl-5-morpholinoethoxy-pyrazole

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC1=C(NN=C1OCCN2CCOCC2)C3=CC=CC=C3
InChI
InChI=1S/C16H21N3O2/c1-13-15(14-5-3-2-4-6-14)17-18-16(13)21-12-9-19-7-10-20-11-8-19/h2-6H,7-12H2,1H3,(H,17,18)
InChIKey
CCSRHRVWFHYDAR-UHFFFAOYSA-N
Compound name
4-[2-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)oxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.1634 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.3
[M+Na]+ 310.15262 182.0
[M+NH4]+ 305.19722 176.2
[M+K]+ 326.12656 177.2
[M-H]- 286.15612 174.0
[M+Na-2H]- 308.13807 176.1
[M]+ 287.16285 172.3
[M]- 287.16395 172.3
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

patents stripe