CID 293865

Nsc161128

Structural Information

Molecular Formula
C11H15N3OS2
SMILES
CN(C)C(=S)SN(C)C(=O)NC1=CC=CC=C1
InChI
InChI=1S/C11H15N3OS2/c1-13(2)11(16)17-14(3)10(15)12-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,12,15)
InChIKey
DKRAKKBEWHKUMN-UHFFFAOYSA-N
Compound name
[methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.06564 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07292 160.5
[M+Na]+ 292.05486 164.7
[M-H]- 268.05836 165.8
[M+NH4]+ 287.09946 177.5
[M+K]+ 308.02880 162.2
[M+H-H2O]+ 252.06290 152.3
[M+HCOO]- 314.06384 174.9
[M+CH3COO]- 328.07949 205.8
[M+Na-2H]- 290.04031 160.5
[M]+ 269.06509 162.3
[M]- 269.06619 162.3
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.