CID 22591814

1,3-di-tert-butyl 2-sulfanylideneimidazolidine-1,3-dicarboxylate

Structural Information

Molecular Formula
C13H22N2O4S
SMILES
CC(C)(C)OC(=O)N1CCN(C1=S)C(=O)OC(C)(C)C
InChI
InChI=1S/C13H22N2O4S/c1-12(2,3)18-10(16)14-7-8-15(9(14)20)11(17)19-13(4,5)6/h7-8H2,1-6H3
InChIKey
XKAUHHTXJNCNME-UHFFFAOYSA-N
Compound name
ditert-butyl 2-sulfanylideneimidazolidine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

302.13004 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13732 174.1
[M+Na]+ 325.11926 179.9
[M+NH4]+ 320.16386 178.0
[M+K]+ 341.09320 178.3
[M-H]- 301.12276 170.1
[M+Na-2H]- 323.10471 173.0
[M]+ 302.12949 173.8
[M]- 302.13059 173.8
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