CID 2755668

51608-60-7

Structural Information

Molecular Formula
C14H13NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N=CC2=CC=CC=C2
InChI
InChI=1S/C14H13NO2S/c1-12-7-9-14(10-8-12)18(16,17)15-11-13-5-3-2-4-6-13/h2-11H,1H3
InChIKey
HVCKVBQOKOFBFH-UHFFFAOYSA-N
Compound name
N-benzylidene-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

93
Patents

259.0667 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.073976 156.6
[M+Na]+ 282.055918 165.2
[M-H]- 258.059424 165.1
[M+NH4]+ 277.100523 174.2
[M+K]+ 298.029858 160.8
[M+H-H2O]+ 242.063960 149.1
[M+HCOO]- 304.064901 177.8
[M+CH3COO]- 318.080551 195.7
[M+Na-2H]- 280.041366 162.4
[M]+ 259.06615142 159.5
[M]- 259.06724858 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe