CID 510609

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

Structural Information

Molecular Formula
C13H13NO3S
SMILES
CC1=CC2=C(C=C1)S(=O)(=O)N(C2C3=CC=CO3)C
InChI
InChI=1S/C13H13NO3S/c1-9-5-6-12-10(8-9)13(11-4-3-7-17-11)14(2)18(12,15)16/h3-8,13H,1-2H3
InChIKey
VFQOKOOHFGJGRV-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-2,5-dimethyl-3H-1,2-benzothiazole 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.0616 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.06888 154.4
[M+Na]+ 286.05082 167.5
[M-H]- 262.05432 163.4
[M+NH4]+ 281.09542 176.6
[M+K]+ 302.02476 164.9
[M+H-H2O]+ 246.05886 150.2
[M+HCOO]- 308.05980 173.3
[M+CH3COO]- 322.07545 169.3
[M+Na-2H]- 284.03627 156.5
[M]+ 263.06105 161.0
[M]- 263.06215 161.0
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.