CID 139594622

Dtxsid101024909

Structural Information

Molecular Formula
C10H12N4O2S2
SMILES
COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)N
InChI
InChI=1S/C10H12N4O2S2/c1-16-10(15)14-9(18)13-7-5-3-2-4-6(7)12-8(11)17/h2-5H,1H3,(H3,11,12,17)(H2,13,14,15,18)
InChIKey
CTZZVWLISMKYBW-UHFFFAOYSA-N
Compound name
methyl N-[[2-(carbamothioylamino)phenyl]carbamothioyl]carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

284.04016 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.04744 159.8
[M+Na]+ 307.02938 164.9
[M+NH4]+ 302.07398 165.6
[M+K]+ 323.00332 158.5
[M-H]- 283.03288 161.5
[M+Na-2H]- 305.01483 162.9
[M]+ 284.03961 161.3
[M]- 284.04071 161.3
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

No patent data available for this compound.