CID 374623

Nsc652592

Structural Information

Molecular Formula
C15H15NO2S
SMILES
CC1=CC2C(C=C1)S(=O)(=O)N3C2(C3)C4=CC=CC=C4
InChI
InChI=1S/C15H15NO2S/c1-11-7-8-14-13(9-11)15(10-16(15)19(14,17)18)12-5-3-2-4-6-12/h2-9,13-14H,10H2,1H3
InChIKey
UPHYXNAFEYWKJC-UHFFFAOYSA-N
Compound name
6-methyl-7b-phenyl-3a,7a-dihydro-1H-azirino[1,2-b][1,2]benzothiazole 3,3-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.08234 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08962 160.8
[M+Na]+ 296.07156 173.9
[M-H]- 272.07506 169.0
[M+NH4]+ 291.11616 179.3
[M+K]+ 312.04550 169.5
[M+H-H2O]+ 256.07960 155.4
[M+HCOO]- 318.08054 176.2
[M+CH3COO]- 332.09619 173.6
[M+Na-2H]- 294.05701 165.9
[M]+ 273.08179 167.2
[M]- 273.08289 167.2
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.