CID 5874777

5448-88-4

Structural Information

Molecular Formula
C15H23N3O3S
SMILES
CCCC/C(=N/NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)/CC
InChI
InChI=1S/C15H23N3O3S/c1-4-6-7-13(5-2)17-18-22(20,21)15-10-8-14(9-11-15)16-12(3)19/h8-11,18H,4-7H2,1-3H3,(H,16,19)/b17-13+
InChIKey
PRNMXEYCFGDZQY-GHRIWEEISA-N
Compound name
N-[4-[[(E)-heptan-3-ylideneamino]sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14603 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.15331 176.3
[M+Na]+ 348.13525 180.3
[M-H]- 324.13875 180.4
[M+NH4]+ 343.17985 190.3
[M+K]+ 364.10919 177.1
[M+H-H2O]+ 308.14329 168.1
[M+HCOO]- 370.14423 195.5
[M+CH3COO]- 384.15988 215.3
[M+Na-2H]- 346.12070 178.1
[M]+ 325.14548 179.7
[M]- 325.14658 179.7
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.