CID 394912

Nsc699005

Structural Information

Molecular Formula
C11H16N2O2S3
SMILES
CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC(=C1)N
InChI
InChI=1S/C11H16N2O2S3/c1-3-13(4-2)11(16)17-18(14,15)10-7-5-6-9(12)8-10/h5-8H,3-4,12H2,1-2H3
InChIKey
OHSPPTWLKKBPIV-UHFFFAOYSA-N
Compound name
(3-aminophenyl)sulfonyl N,N-diethylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.03738 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.04466 166.6
[M+Na]+ 327.02660 172.2
[M-H]- 303.03010 168.9
[M+NH4]+ 322.07120 181.1
[M+K]+ 343.00054 165.3
[M+H-H2O]+ 287.03464 159.0
[M+HCOO]- 349.03558 172.6
[M+CH3COO]- 363.05123 205.8
[M+Na-2H]- 325.01205 166.3
[M]+ 304.03683 167.2
[M]- 304.03793 167.2
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.