CID 199660

Morpholine, 4-(antipyrinylsulfonyl)-

Structural Information

Molecular Formula
C15H19N3O4S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)N3CCOCC3
InChI
InChI=1S/C15H19N3O4S/c1-12-14(23(20,21)17-8-10-22-11-9-17)15(19)18(16(12)2)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKey
DBPWTNLIPYUOEJ-UHFFFAOYSA-N
Compound name
1,5-dimethyl-4-morpholin-4-ylsulfonyl-2-phenylpyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.10962 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.11690 176.0
[M+Na]+ 360.09884 188.4
[M+NH4]+ 355.14344 181.5
[M+K]+ 376.07278 183.8
[M-H]- 336.10234 179.3
[M+Na-2H]- 358.08429 181.3
[M]+ 337.10907 179.0
[M]- 337.11017 179.0
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.