CID 97046706

5-amino-2-(4-methoxybenzyl)-2,3-dihydrobenzo[d]isothiazole 1,1-dioxide

Structural Information

Molecular Formula
C15H16N2O3S
SMILES
COC1=CC=C(C=C1)CN2CC3=C(S2(=O)=O)C=CC(=C3)N
InChI
InChI=1S/C15H16N2O3S/c1-20-14-5-2-11(3-6-14)9-17-10-12-8-13(16)4-7-15(12)21(17,18)19/h2-8H,9-10,16H2,1H3
InChIKey
UVUMISWQMCCSHV-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-1,1-dioxo-3H-1,2-benzothiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.08817 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.095446 166.1
[M+Na]+ 327.077388 176.9
[M-H]- 303.080894 173.0
[M+NH4]+ 322.121993 185.1
[M+K]+ 343.051328 172.0
[M+H-H2O]+ 287.085430 159.5
[M+HCOO]- 349.086371 184.4
[M+CH3COO]- 363.102021 178.6
[M+Na-2H]- 325.062836 169.0
[M]+ 304.08762142 170.0
[M]- 304.08871858 170.0
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.