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 177.0
[M+Na]+ 360.09884 186.4
[M-H]- 336.10234 184.3
[M+NH4]+ 355.14344 187.7
[M+K]+ 376.07278 183.1
[M+H-H2O]+ 320.10688 168.7
[M+HCOO]- 382.10782 189.1
[M+CH3COO]- 396.12347 205.2
[M+Na-2H]- 358.08429 177.1
[M]+ 337.10907 179.4
[M]- 337.11017 179.4
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.