CID 2738171

Maybridge3_006125

Structural Information

Molecular Formula
C18H18N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NCC2=C(ON=C2C3=CC=CC=C3)C
InChI
InChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(21,22)19-12-17-14(2)23-20-18(17)15-6-4-3-5-7-15/h3-11,19H,12H2,1-2H3
InChIKey
FSSWHIRKCWZLKL-UHFFFAOYSA-N
Compound name
4-methyl-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

342.10382 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.111096 179.7
[M+Na]+ 365.093038 189.0
[M-H]- 341.096544 189.9
[M+NH4]+ 360.137643 192.6
[M+K]+ 381.066978 184.7
[M+H-H2O]+ 325.101080 171.7
[M+HCOO]- 387.102021 198.4
[M+CH3COO]- 401.117671 209.7
[M+Na-2H]- 363.078486 182.7
[M]+ 342.10327142 184.6
[M]- 342.10436858 184.6
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

No patent data available for this compound.