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]+ 305.09545 166.1
[M+Na]+ 327.07739 176.9
[M-H]- 303.08089 173.0
[M+NH4]+ 322.12199 185.1
[M+K]+ 343.05133 172.0
[M+H-H2O]+ 287.08543 159.5
[M+HCOO]- 349.08637 184.4
[M+CH3COO]- 363.10202 178.6
[M+Na-2H]- 325.06284 169.0
[M]+ 304.08762 170.0
[M]- 304.08872 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.