CID 69034

599-86-0

Structural Information

Molecular Formula
C14H15NO2S
SMILES
CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H15NO2S/c1-11-3-7-13(8-4-11)15-18(16,17)14-9-5-12(2)6-10-14/h3-10,15H,1-2H3
InChIKey
GPLXRIVINNIQFY-UHFFFAOYSA-N
Compound name
4-methyl-N-(4-methylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

281
Patents

261.08234 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.089616 156.8
[M+Na]+ 284.071558 165.5
[M-H]- 260.075064 164.2
[M+NH4]+ 279.116163 173.9
[M+K]+ 300.045498 160.7
[M+H-H2O]+ 244.079600 149.8
[M+HCOO]- 306.080541 176.3
[M+CH3COO]- 320.096191 195.8
[M+Na-2H]- 282.057006 161.7
[M]+ 261.08179142 159.1
[M]- 261.08288858 159.1
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