CID 410643

Nsc30506

Structural Information

Molecular Formula
C10H20N2O4S4
SMILES
C(CO)N(CC(C(CN(CCO)C(=S)S)O)O)C(=S)S
InChI
InChI=1S/C10H20N2O4S4/c13-3-1-11(9(17)18)5-7(15)8(16)6-12(2-4-14)10(19)20/h7-8,13-16H,1-6H2,(H,17,18)(H,19,20)
InChIKey
QXZXURNSNOKDKU-UHFFFAOYSA-N
Compound name
[4-[dithiocarboxy(2-hydroxyethyl)amino]-2,3-dihydroxybutyl]-(2-hydroxyethyl)carbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.03058 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.03786 175.2
[M+Na]+ 383.01980 173.4
[M-H]- 359.02330 167.7
[M+NH4]+ 378.06440 183.4
[M+K]+ 398.99374 165.5
[M+H-H2O]+ 343.02784 167.1
[M+HCOO]- 405.02878 166.6
[M+CH3COO]- 419.04443 213.0
[M+Na-2H]- 381.00525 171.2
[M]+ 360.03003 171.9
[M]- 360.03113 171.9
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.