CID 226631

5446-51-5

Structural Information

Molecular Formula
C13H17N3O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCC2
InChI
InChI=1S/C13H17N3O3S/c1-10(17)14-11-6-8-13(9-7-11)20(18,19)16-15-12-4-2-3-5-12/h6-9,16H,2-5H2,1H3,(H,14,17)
InChIKey
VRHIMVIIZVAFGF-UHFFFAOYSA-N
Compound name
N-[4-[(cyclopentylideneamino)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.09906 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.10634 165.7
[M+Na]+ 318.08828 170.5
[M-H]- 294.09178 173.3
[M+NH4]+ 313.13288 182.5
[M+K]+ 334.06222 167.4
[M+H-H2O]+ 278.09632 158.2
[M+HCOO]- 340.09726 186.3
[M+CH3COO]- 354.11291 204.9
[M+Na-2H]- 316.07373 168.6
[M]+ 295.09851 164.9
[M]- 295.09961 164.9
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.