CID 3801848

387361-80-0

Structural Information

Molecular Formula
C9H11N3S3
SMILES
CSC(=S)NNC(=S)NC1=CC=CC=C1
InChI
InChI=1S/C9H11N3S3/c1-15-9(14)12-11-8(13)10-7-5-3-2-4-6-7/h2-6H,1H3,(H,12,14)(H2,10,11,13)
InChIKey
ARTKXMLZMMMHHY-UHFFFAOYSA-N
Compound name
methyl N-(phenylcarbamothioylamino)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.0115 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01878 151.0
[M+Na]+ 280.00072 156.0
[M-H]- 256.00422 152.5
[M+NH4]+ 275.04532 166.8
[M+K]+ 295.97466 148.0
[M+H-H2O]+ 240.00876 143.6
[M+HCOO]- 302.00970 158.5
[M+CH3COO]- 316.02535 196.6
[M+Na-2H]- 277.98617 152.5
[M]+ 257.01095 147.5
[M]- 257.01205 147.5
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.