CID 199659

Brn 0305428

Structural Information

Molecular Formula
C15H21N3O3S
SMILES
CCN(CC)S(=O)(=O)C1=C(N(N(C1=O)C2=CC=CC=C2)C)C
InChI
InChI=1S/C15H21N3O3S/c1-5-17(6-2)22(20,21)14-12(3)16(4)18(15(14)19)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3
InChIKey
WECUVXSFXITMLG-UHFFFAOYSA-N
Compound name
N,N-diethyl-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13037 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.13765 174.4
[M+Na]+ 346.11959 184.4
[M-H]- 322.12309 181.2
[M+NH4]+ 341.16419 189.3
[M+K]+ 362.09353 181.0
[M+H-H2O]+ 306.12763 166.6
[M+HCOO]- 368.12857 192.5
[M+CH3COO]- 382.14422 211.1
[M+Na-2H]- 344.10504 174.6
[M]+ 323.12982 181.7
[M]- 323.13092 181.7
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.