CID 3245583

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

Structural Information

Molecular Formula
C9H15N3O3S
SMILES
CC1=C(C(=NN1)C)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C9H15N3O3S/c1-7-9(8(2)11-10-7)16(13,14)12-3-5-15-6-4-12/h3-6H2,1-2H3,(H,10,11)
InChIKey
IBUIILNAJLHSRC-UHFFFAOYSA-N
Compound name
4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

245.08342 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.09070 153.8
[M+Na]+ 268.07264 162.1
[M-H]- 244.07614 156.1
[M+NH4]+ 263.11724 167.6
[M+K]+ 284.04658 159.9
[M+H-H2O]+ 228.08068 146.9
[M+HCOO]- 290.08162 164.6
[M+CH3COO]- 304.09727 184.9
[M+Na-2H]- 266.05809 155.2
[M]+ 245.08287 153.3
[M]- 245.08397 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.