CID 9554230

Bisaldicarb sulfide

Structural Information

Molecular Formula
C14H26N4O4S3
SMILES
CC(SC)(/C=N/OC(=O)N(SN(C(=O)O/N=C/C(SC)(C)C)C)C)C
InChI
InChI=1S/C14H26N4O4S3/c1-13(2,23-7)9-15-21-11(19)17(5)25-18(6)12(20)22-16-10-14(3,4)24-8/h9-10H,1-8H3/b15-9+,16-10+
InChIKey
YVXLMMRCMBZVIO-KAVGSWPWSA-N
Compound name
[(E)-(2-methyl-2-methylsulfanylpropylidene)amino] N-methyl-N-[methyl-[(E)-(2-methyl-2-methylsulfanylpropylidene)amino]oxycarbonylamino]sulfanylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.11163 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.11891 198.0
[M+Na]+ 433.10085 198.4
[M-H]- 409.10435 199.9
[M+NH4]+ 428.14545 209.1
[M+K]+ 449.07479 195.9
[M+H-H2O]+ 393.10889 188.1
[M+HCOO]- 455.10983 204.6
[M+CH3COO]- 469.12548 236.7
[M+Na-2H]- 431.08630 198.3
[M]+ 410.11108 205.6
[M]- 410.11218 205.6
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.