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]+ 246.090696 153.8
[M+Na]+ 268.072638 162.1
[M-H]- 244.076144 156.1
[M+NH4]+ 263.117243 167.6
[M+K]+ 284.046578 159.9
[M+H-H2O]+ 228.080680 146.9
[M+HCOO]- 290.081621 164.6
[M+CH3COO]- 304.097271 184.9
[M+Na-2H]- 266.058086 155.2
[M]+ 245.08287142 153.3
[M]- 245.08396858 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.