CID 6510234

126826-51-5

Structural Information

Molecular Formula
C14H19N3O3S
SMILES
CCN\1CCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C14H19N3O3S/c1-3-17-10-4-5-14(17)16-21(19,20)13-8-6-12(7-9-13)15-11(2)18/h6-9H,3-5,10H2,1-2H3,(H,15,18)/b16-14-
InChIKey
MPPJJBYGHSTRJD-PEZBUJJGSA-N
Compound name
N-[4-[(Z)-(1-ethylpyrrolidin-2-ylidene)amino]sulfonylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11472 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.12200 171.3
[M+Na]+ 332.10394 179.1
[M+NH4]+ 327.14854 177.0
[M+K]+ 348.07788 174.5
[M-H]- 308.10744 173.0
[M+Na-2H]- 330.08939 175.6
[M]+ 309.11417 172.9
[M]- 309.11527 172.9
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.