CID 139022468

2245189-16-4

Structural Information

Molecular Formula
C16H28N2O4S2
SMILES
CC(C)(C)OC(=O)N1CC(C1)SSC2CN(C2)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H28N2O4S2/c1-15(2,3)21-13(19)17-7-11(8-17)23-24-12-9-18(10-12)14(20)22-16(4,5)6/h11-12H,7-10H2,1-6H3
InChIKey
KGDYFZQKTFRNOY-UHFFFAOYSA-N
Compound name
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]disulfanyl]azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

376.14905 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15633 177.1
[M+Na]+ 399.13827 174.4
[M-H]- 375.14177 177.5
[M+NH4]+ 394.18287 173.7
[M+K]+ 415.11221 178.8
[M+H-H2O]+ 359.14631 157.7
[M+HCOO]- 421.14725 176.7
[M+CH3COO]- 435.16290 221.9
[M+Na-2H]- 397.12372 172.3
[M]+ 376.14850 196.0
[M]- 376.14960 196.0
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