CID 17128

Urbacide

Structural Information

Molecular Formula
C7H15AsN2S4
SMILES
CN(C)C(=S)S[As](C)SC(=S)N(C)C
InChI
InChI=1S/C7H15AsN2S4/c1-8(13-6(11)9(2)3)14-7(12)10(4)5/h1-5H3
InChIKey
FRDDEJAABOMVCH-UHFFFAOYSA-N
Compound name
[dimethylcarbamothioylsulfanyl(methyl)arsanyl] N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1116
Patents

329.9334 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94068 163.3
[M+Na]+ 352.92262 167.3
[M+NH4]+ 347.96722 170.6
[M+K]+ 368.89656 157.8
[M-H]- 328.92612 163.9
[M+Na-2H]- 350.90807 162.4
[M]+ 329.93285 165.4
[M]- 329.93395 165.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe