CID 14366091

Urea, n-(((dimethylamino)thioxomethyl)thio)-n'-phenyl-

Structural Information

Molecular Formula
C10H13N3OS2
SMILES
CN(C)C(=S)SNC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C10H13N3OS2/c1-13(2)10(15)16-12-9(14)11-8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12,14)
InChIKey
PGINXCCSVDJQLZ-UHFFFAOYSA-N
Compound name
(phenylcarbamoylamino) N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

255.05 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.05728 155.3
[M+Na]+ 278.03922 159.9
[M-H]- 254.04272 159.3
[M+NH4]+ 273.08382 172.2
[M+K]+ 294.01316 156.1
[M+H-H2O]+ 238.04726 147.5
[M+HCOO]- 300.04820 169.6
[M+CH3COO]- 314.06385 199.5
[M+Na-2H]- 276.02467 156.4
[M]+ 255.04945 155.5
[M]- 255.05055 155.5
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

patents stripe