CID 71300689

Dtxsid1074389

Structural Information

Molecular Formula
C36H72N4S8Te
SMILES
CC(C)CN(CC(C)C)C(=S)S[Te](SC(=S)N(CC(C)C)CC(C)C)(SC(=S)N(CC(C)C)CC(C)C)SC(=S)N(CC(C)C)CC(C)C
InChI
InChI=1S/C36H72N4S8Te/c1-25(2)17-37(18-26(3)4)33(41)45-49(46-34(42)38(19-27(5)6)20-28(7)8,47-35(43)39(21-29(9)10)22-30(11)12)48-36(44)40(23-31(13)14)24-32(15)16/h25-32H,17-24H2,1-16H3
InChIKey
WPRGVVIQRWCHNU-UHFFFAOYSA-N
Compound name
[tris[bis(2-methylpropyl)carbamothioylsulfanyl]-lambda4-tellanyl] N,N-bis(2-methylpropyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

946.2585 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 947.265776 288.0
[M+Na]+ 969.247718 290.1
[M-H]- 945.251224 279.7
[M+NH4]+ 964.292323 299.9
[M+K]+ 985.221658 302.2
[M+H-H2O]+ 929.255760 290.8
[M+HCOO]- 991.256701 266.7
[M+CH3COO]- 1005.272351 292.0
[M+Na-2H]- 967.233166 281.8
[M]+ 946.25795142 291.7
[M]- 946.25904858 291.7
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.