CID 17128

Urbacid

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

3303
Patents

329.9334 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.94068 167.7
[M+Na]+ 352.92262 170.4
[M-H]- 328.92612 166.9
[M+NH4]+ 347.96722 182.7
[M+K]+ 368.89656 163.9
[M+H-H2O]+ 312.93066 159.1
[M+HCOO]- 374.93160 164.5
[M+CH3COO]- 388.94725 209.1
[M+Na-2H]- 350.90807 162.9
[M]+ 329.93285 166.1
[M]- 329.93395 166.1
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.