CID 2223246

824981-55-7

Structural Information

Molecular Formula
C28H26N2O3S
SMILES
CC1=CC(=C(C=C1)C)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C4=CC=CC=C4)C
InChI
InChI=1S/C28H26N2O3S/c1-19-13-14-20(2)26(17-19)30-34(32,33)27-18-23(16-15-21(27)3)28(31)29-25-12-8-7-11-24(25)22-9-5-4-6-10-22/h4-18,30H,1-3H3,(H,29,31)
InChIKey
BWWPVIRXNOWQSI-UHFFFAOYSA-N
Compound name
3-[(2,5-dimethylphenyl)sulfamoyl]-4-methyl-N-(2-phenylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

1
Patents

470.1664 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.17368 214.9
[M+Na]+ 493.15562 220.9
[M-H]- 469.15912 227.3
[M+NH4]+ 488.20022 222.0
[M+K]+ 509.12956 213.8
[M+H-H2O]+ 453.16366 203.7
[M+HCOO]- 515.16460 232.1
[M+CH3COO]- 529.18025 239.9
[M+Na-2H]- 491.14107 216.0
[M]+ 470.16585 216.8
[M]- 470.16695 216.8
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