CID 3076726

Trans-hexahydro-2h,6h-1,5:3,7-dimethano-4,1,3,5,7-benzothiatetrazonine 4,4-dioxide

Structural Information

Molecular Formula
C10H18N4O2S
SMILES
C1CC[C@@H]2[C@@H](C1)N3CN4CN2CN(C3)S4(=O)=O
InChI
InChI=1S/C10H18N4O2S/c15-17(16)13-5-11-6-14(17)8-12(7-13)10-4-2-1-3-9(10)11/h9-10H,1-8H2/t9-,10-/m1/s1
InChIKey
DRYFQLDUOJHWBF-NXEZZACHSA-N
Compound name
(2R,7R)-11lambda6-thia-1,8,10,12-tetrazatetracyclo[8.3.1.18,12.02,7]pentadecane 11,11-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.11505 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.12233 146.8
[M+Na]+ 281.10427 151.2
[M+NH4]+ 276.14887 153.9
[M+K]+ 297.07821 147.3
[M-H]- 257.10777 143.3
[M+Na-2H]- 279.08972 144.7
[M]+ 258.11450 146.7
[M]- 258.11560 146.7
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.