CID 10615350

173300-85-1

Structural Information

Molecular Formula
C14H24N2O4S
SMILES
CC(C)(C)OC(=O)N1CCCN(C1=S)C(=O)OC(C)(C)C
InChI
InChI=1S/C14H24N2O4S/c1-13(2,3)19-11(17)15-8-7-9-16(10(15)21)12(18)20-14(4,5)6/h7-9H2,1-6H3
InChIKey
VLDPGLLUMUWOQG-UHFFFAOYSA-N
Compound name
ditert-butyl 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

316.1457 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15298 176.5
[M+Na]+ 339.13492 183.2
[M+NH4]+ 334.17952 180.5
[M+K]+ 355.10886 179.5
[M-H]- 315.13842 173.2
[M+Na-2H]- 337.12037 176.4
[M]+ 316.14515 176.6
[M]- 316.14625 176.6
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

patents stripe