CID 9588162

Bis((5,5-dimethyl-2-isopropylimino-4-(o-(n-methylcarbamoyl)oximino)-1,3-dithiolane))sulfide

Structural Information

Molecular Formula
C20H32N6O4S5
SMILES
CC(N=C1SC(/C(=N\OC(=O)N(SN(C(=O)O/N=C\2/SC(=NC(C)C)SC2(C)C)C)C)/S1)(C)C)C
InChI
InChI=1S/C20H32N6O4S5/c1-11(2)21-15-31-13(19(5,6)33-15)23-29-17(27)25(9)35-26(10)18(28)30-24-14-20(7,8)34-16(32-14)22-12(3)4/h11-12H,1-10H3/b21-15?,22-16?,23-13+,24-14+
InChIKey
KXSKHNBTAJUMOA-JNALLAFRSA-N
Compound name
[(E)-(5,5-dimethyl-2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino] N-[[(E)-(5,5-dimethyl-2-propan-2-ylimino-1,3-dithiolan-4-ylidene)amino]oxycarbonyl-methylamino]sulfanyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.1089 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.11618 230.2
[M+Na]+ 603.09812 228.6
[M-H]- 579.10162 234.0
[M+NH4]+ 598.14272 239.9
[M+K]+ 619.07206 222.8
[M+H-H2O]+ 563.10616 224.4
[M+HCOO]- 625.10710 226.0
[M+CH3COO]- 639.12275 266.2
[M+Na-2H]- 601.08357 235.4
[M]+ 580.10835 230.4
[M]- 580.10945 230.4
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

No patent data available for this compound.