CID 504520

Schembl12051368

Structural Information

Molecular Formula
C11H13N3O2S2
SMILES
CSC(=N)SC1=CC=CC=C1C(=O)NCC(=O)N
InChI
InChI=1S/C11H13N3O2S2/c1-17-11(13)18-8-5-3-2-4-7(8)10(16)14-6-9(12)15/h2-5,13H,6H2,1H3,(H2,12,15)(H,14,16)
InChIKey
GSELDVHECWGBLN-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxoethyl)-2-(C-methylsulfanylcarbonimidoyl)sulfanylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

283.04492 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05220 161.4
[M+Na]+ 306.03414 165.7
[M-H]- 282.03764 163.3
[M+NH4]+ 301.07874 176.0
[M+K]+ 322.00808 160.3
[M+H-H2O]+ 266.04218 153.7
[M+HCOO]- 328.04312 173.6
[M+CH3COO]- 342.05877 203.3
[M+Na-2H]- 304.01959 160.4
[M]+ 283.04437 160.3
[M]- 283.04547 160.3
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.