CID 6908569

Nsc623224

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
CC1=CC(=C(C=C1)/C=N/NS(=O)(=O)C2=CC=CC=C2)C
InChI
InChI=1S/C15H16N2O2S/c1-12-8-9-14(13(2)10-12)11-16-17-20(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-11+
InChIKey
SDUMLWVFOBPLIH-LFIBNONCSA-N
Compound name
N-[(E)-(2,4-dimethylphenyl)methylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09326 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10054 164.6
[M+Na]+ 311.08248 172.6
[M-H]- 287.08598 173.0
[M+NH4]+ 306.12708 180.8
[M+K]+ 327.05642 167.8
[M+H-H2O]+ 271.09052 156.6
[M+HCOO]- 333.09146 186.3
[M+CH3COO]- 347.10711 204.8
[M+Na-2H]- 309.06793 169.9
[M]+ 288.09271 167.5
[M]- 288.09381 167.5
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.