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]+ 324.137646 174.4
[M+Na]+ 346.119588 184.4
[M-H]- 322.123094 181.2
[M+NH4]+ 341.164193 189.3
[M+K]+ 362.093528 181.0
[M+H-H2O]+ 306.127630 166.6
[M+HCOO]- 368.128571 192.5
[M+CH3COO]- 382.144221 211.1
[M+Na-2H]- 344.105036 174.6
[M]+ 323.12982142 181.7
[M]- 323.13091858 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.