CID 208216

31792-45-7

Structural Information

Molecular Formula
C15H20N2O5S2
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCNCCSS(=O)(=O)O
InChI
InChI=1S/C15H20N2O5S2/c18-14-12-6-2-3-7-13(12)15(19)17(14)10-5-1-4-8-16-9-11-23-24(20,21)22/h2-3,6-7,16H,1,4-5,8-11H2,(H,20,21,22)
InChIKey
KWWFIYOMVNMCJZ-UHFFFAOYSA-N
Compound name
1,3-dioxo-2-[5-(2-sulfosulfanylethylamino)pentyl]isoindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.08136 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.08864 183.4
[M+Na]+ 395.07058 190.1
[M-H]- 371.07408 184.1
[M+NH4]+ 390.11518 196.7
[M+K]+ 411.04452 184.1
[M+H-H2O]+ 355.07862 177.5
[M+HCOO]- 417.07956 192.7
[M+CH3COO]- 431.09521 211.4
[M+Na-2H]- 393.05603 184.3
[M]+ 372.08081 189.6
[M]- 372.08191 189.6
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.