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]+ 285.04744 160.4
[M+Na]+ 307.02938 164.3
[M-H]- 283.03288 162.3
[M+NH4]+ 302.07398 174.6
[M+K]+ 323.00332 159.1
[M+H-H2O]+ 267.03742 152.3
[M+HCOO]- 329.03836 173.7
[M+CH3COO]- 343.05401 204.4
[M+Na-2H]- 305.01483 160.5
[M]+ 284.03961 157.9
[M]- 284.04071 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.