CID 393782

Nsc696469

Structural Information

Molecular Formula
C19H29NO4S2
SMILES
CC1(C(=O)C(C12N(SC3(S2)C(C(=O)C3(C)C)(C)C)CC(=O)OC)(C)C)C
InChI
InChI=1S/C19H29NO4S2/c1-14(2)12(22)15(3,4)18(14)20(10-11(21)24-9)26-19(25-18)16(5,6)13(23)17(19,7)8/h10H2,1-9H3
InChIKey
DRERXGGTVRBVQG-UHFFFAOYSA-N
Compound name
methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.36.24]undecan-11-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1538 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16108 167.8
[M+Na]+ 422.14302 170.8
[M-H]- 398.14652 171.7
[M+NH4]+ 417.18762 177.7
[M+K]+ 438.11696 172.7
[M+H-H2O]+ 382.15106 161.3
[M+HCOO]- 444.15200 170.3
[M+CH3COO]- 458.16765 228.3
[M+Na-2H]- 420.12847 170.0
[M]+ 399.15325 190.6
[M]- 399.15435 190.6
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.