CID 3076726

132316-51-9

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]+ 259.122326 164.6
[M+Na]+ 281.104268 172.8
[M-H]- 257.107774 162.4
[M+NH4]+ 276.148873 181.7
[M+K]+ 297.078208 168.3
[M+H-H2O]+ 241.112310 158.7
[M+HCOO]- 303.113251 164.7
[M+CH3COO]- 317.128901 171.4
[M+Na-2H]- 279.089716 172.3
[M]+ 258.11450142 163.6
[M]- 258.11559858 163.6
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.