CID 510611

3-(4-methoxyphenyl)-2,5-dimethyl-3h-1,2-benzothiazole 1,1-dioxide

Structural Information

Molecular Formula
C16H17NO3S
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)N(C2C3=CC=C(C=C3)OC)C
InChI
InChI=1S/C16H17NO3S/c1-11-4-9-15-14(10-11)16(17(2)21(15,18)19)12-5-7-13(20-3)8-6-12/h4-10,16H,1-3H3
InChIKey
HLPWMLZCXFYIEC-UHFFFAOYSA-N
Compound name
3-(4-methoxyphenyl)-2,5-dimethyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.09293 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.10021 166.0
[M+Na]+ 326.08215 178.2
[M-H]- 302.08565 173.8
[M+NH4]+ 321.12675 186.0
[M+K]+ 342.05609 173.6
[M+H-H2O]+ 286.09019 159.8
[M+HCOO]- 348.09113 183.6
[M+CH3COO]- 362.10678 202.2
[M+Na-2H]- 324.06760 167.9
[M]+ 303.09238 172.3
[M]- 303.09348 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.