CID 75451020

3-(1-benzyl-3,5-dimethyl-1h-pyrazol-4-yl)morpholine

Structural Information

Molecular Formula
C16H21N3O
SMILES
CC1=C(C(=NN1CC2=CC=CC=C2)C)C3COCCN3
InChI
InChI=1S/C16H21N3O/c1-12-16(15-11-20-9-8-17-15)13(2)19(18-12)10-14-6-4-3-5-7-14/h3-7,15,17H,8-11H2,1-2H3
InChIKey
WIMYCIGEWONJBR-UHFFFAOYSA-N
Compound name
3-(1-benzyl-3,5-dimethylpyrazol-4-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.17574 166.0
[M+Na]+ 294.15768 172.5
[M-H]- 270.16118 170.6
[M+NH4]+ 289.20228 177.8
[M+K]+ 310.13162 168.1
[M+H-H2O]+ 254.16572 156.0
[M+HCOO]- 316.16666 181.3
[M+CH3COO]- 330.18231 176.0
[M+Na-2H]- 292.14313 167.2
[M]+ 271.16791 162.5
[M]- 271.16901 162.5
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.