CID 75451021

3-[1-(3-methoxyphenyl)-3,5-dimethyl-1h-pyrazol-4-yl]morpholine

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CC1=C(C(=NN1C2=CC(=CC=C2)OC)C)C3COCCN3
InChI
InChI=1S/C16H21N3O2/c1-11-16(15-10-21-8-7-17-15)12(2)19(18-11)13-5-4-6-14(9-13)20-3/h4-6,9,15,17H,7-8,10H2,1-3H3
InChIKey
FGWQSXYWXCMULL-UHFFFAOYSA-N
Compound name
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.17068 169.5
[M+Na]+ 310.15262 176.7
[M-H]- 286.15612 174.5
[M+NH4]+ 305.19722 180.8
[M+K]+ 326.12656 173.0
[M+H-H2O]+ 270.16066 159.6
[M+HCOO]- 332.16160 184.9
[M+CH3COO]- 346.17725 179.7
[M+Na-2H]- 308.13807 170.0
[M]+ 287.16285 167.8
[M]- 287.16395 167.8
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.