CID 199657

3-pyrazoline-4-sulfonamide, 5-oxo-1-phenyl-n,n,2,3-tetramethyl-

Structural Information

Molecular Formula
C13H17N3O3S
SMILES
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)S(=O)(=O)N(C)C
InChI
InChI=1S/C13H17N3O3S/c1-10-12(20(18,19)14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey
KRKBXLYBSJACEL-UHFFFAOYSA-N
Compound name
N,N,1,5-tetramethyl-3-oxo-2-phenylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09906 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10634 165.5
[M+Na]+ 318.08828 176.5
[M-H]- 294.09178 172.7
[M+NH4]+ 313.13288 181.6
[M+K]+ 334.06222 173.4
[M+H-H2O]+ 278.09632 158.2
[M+HCOO]- 340.09726 184.3
[M+CH3COO]- 354.11291 205.2
[M+Na-2H]- 316.07373 166.6
[M]+ 295.09851 172.1
[M]- 295.09961 172.1
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.