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
4
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]+ 285.047436 160.4
[M+Na]+ 307.029378 164.3
[M-H]- 283.032884 162.3
[M+NH4]+ 302.073983 174.6
[M+K]+ 323.003318 159.1
[M+H-H2O]+ 267.037420 152.3
[M+HCOO]- 329.038361 173.7
[M+CH3COO]- 343.054011 204.4
[M+Na-2H]- 305.014826 160.5
[M]+ 284.03961142 157.9
[M]- 284.04070858 157.9
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.