CID 3847322

1576-39-2

Structural Information

Molecular Formula
C14H15NO3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NOCC2=CC=CC=C2
InChI
InChI=1S/C14H15NO3S/c1-12-7-9-14(10-8-12)19(16,17)15-18-11-13-5-3-2-4-6-13/h2-10,15H,11H2,1H3
InChIKey
BIVFBEGRHVKMIS-UHFFFAOYSA-N
Compound name
4-methyl-N-phenylmethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

22
Patents

277.07727 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08455 160.6
[M+Na]+ 300.06649 168.1
[M-H]- 276.06999 167.5
[M+NH4]+ 295.11109 176.6
[M+K]+ 316.04043 163.9
[M+H-H2O]+ 260.07453 153.1
[M+HCOO]- 322.07547 180.3
[M+CH3COO]- 336.09112 196.8
[M+Na-2H]- 298.05194 166.3
[M]+ 277.07672 163.8
[M]- 277.07782 163.8
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