CID 114958

Bis(2,3-dihydro-2,2-dimethyl-7-benzofuranyl) dithiobis(methylcarbamate)

Structural Information

Molecular Formula
C24H28N2O6S2
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)SSN(C)C(=O)OC3=CC4=C(C=C3)OC(C4)(C)C)C
InChI
InChI=1S/C24H28N2O6S2/c1-23(2)14-16-12-17(10-11-18(16)31-23)29-21(27)25(5)33-34-26(6)22(28)30-19-9-7-8-15-13-24(3,4)32-20(15)19/h7-12H,13-14H2,1-6H3
InChIKey
RNNGCAGZVZIHNF-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-[[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxycarbonyl-methylamino]disulfanyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

504.1389 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.14618 211.8
[M+Na]+ 527.12812 218.5
[M+NH4]+ 522.17272 220.5
[M+K]+ 543.10206 211.6
[M-H]- 503.13162 217.0
[M+Na-2H]- 525.11357 216.5
[M]+ 504.13835 215.3
[M]- 504.13945 215.3
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.