CID 99140

13514-27-7

Structural Information

Molecular Formula
C13H17N3O3S2
SMILES
C1=CC=C2C(=C1)C(=CN2)CCCN=C(CSS(=O)(=O)O)N
InChI
InChI=1S/C13H17N3O3S2/c14-13(9-20-21(17,18)19)15-7-3-4-10-8-16-12-6-2-1-5-11(10)12/h1-2,5-6,8,16H,3-4,7,9H2,(H2,14,15)(H,17,18,19)
InChIKey
TZMUWWOOCIMOBN-UHFFFAOYSA-N
Compound name
3-[3-[(1-amino-2-sulfosulfanylethylidene)amino]propyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07114 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.07842 171.4
[M+Na]+ 350.06036 178.5
[M+NH4]+ 345.10496 177.0
[M+K]+ 366.03430 172.3
[M-H]- 326.06386 171.1
[M+Na-2H]- 348.04581 173.8
[M]+ 327.07059 172.8
[M]- 327.07169 172.8
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.