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 172.1
[M+Na]+ 325.11926 178.7
[M-H]- 301.12276 173.2
[M+NH4]+ 320.16386 187.5
[M+K]+ 341.09320 177.9
[M+H-H2O]+ 285.12730 166.8
[M+HCOO]- 347.12824 181.9
[M+CH3COO]- 361.14389 199.5
[M+Na-2H]- 323.10471 170.1
[M]+ 302.12949 176.4
[M]- 302.13059 176.4
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