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]+ 288.170676 169.5
[M+Na]+ 310.152618 176.7
[M-H]- 286.156124 174.5
[M+NH4]+ 305.197223 180.8
[M+K]+ 326.126558 173.0
[M+H-H2O]+ 270.160660 159.6
[M+HCOO]- 332.161601 184.9
[M+CH3COO]- 346.177251 179.7
[M+Na-2H]- 308.138066 170.0
[M]+ 287.16285142 167.8
[M]- 287.16394858 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.