CID 786537

N-(phenylsulfonylmethyl)benzamide

Structural Information

Molecular Formula
C14H13NO3S
SMILES
C1=CC=C(C=C1)C(=O)NCS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H13NO3S/c16-14(12-7-3-1-4-8-12)15-11-19(17,18)13-9-5-2-6-10-13/h1-10H,11H2,(H,15,16)
InChIKey
XHBAKLWXJLCMGA-UHFFFAOYSA-N
Compound name
N-(benzenesulfonylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

5
Patents

275.0616 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.068876 160.3
[M+Na]+ 298.050818 167.0
[M-H]- 274.054324 166.9
[M+NH4]+ 293.095423 176.0
[M+K]+ 314.024758 162.7
[M+H-H2O]+ 258.058860 152.9
[M+HCOO]- 320.059801 179.2
[M+CH3COO]- 334.075451 194.9
[M+Na-2H]- 296.036266 165.6
[M]+ 275.06105142 161.8
[M]- 275.06214858 161.8
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