CID 330964

Nsc320870

Structural Information

Molecular Formula
C13H16N2O6S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC23COCN2COC3
InChI
InChI=1S/C13H16N2O6S/c1-10-2-4-11(5-3-10)22(17,18)14-12(16)21-13-6-19-8-15(13)9-20-7-13/h2-5H,6-9H2,1H3,(H,14,16)
InChIKey
RLBULIYWGRDYSG-UHFFFAOYSA-N
Compound name
1,3,5,7-tetrahydro-[1,3]oxazolo[3,4-c][1,3]oxazol-7a-yl N-(4-methylphenyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

328.0729 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.08018 169.3
[M+Na]+ 351.06212 176.2
[M-H]- 327.06562 177.0
[M+NH4]+ 346.10672 185.7
[M+K]+ 367.03606 177.4
[M+H-H2O]+ 311.07016 165.2
[M+HCOO]- 373.07110 183.6
[M+CH3COO]- 387.08675 200.6
[M+Na-2H]- 349.04757 174.3
[M]+ 328.07235 173.9
[M]- 328.07345 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.