CID 74034

1438-20-6

Structural Information

Molecular Formula
C13H11N3O2S2
SMILES
C1C(=O)N(C(=S)S1)NC(=O)CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H11N3O2S2/c17-11(15-16-12(18)7-20-13(16)19)5-8-6-14-10-4-2-1-3-9(8)10/h1-4,6,14H,5,7H2,(H,15,17)
InChIKey
USWJQWKLIJDQOY-UHFFFAOYSA-N
Compound name
2-(1H-indol-3-yl)-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.02927 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.03655 166.6
[M+Na]+ 328.01849 176.9
[M-H]- 304.02199 171.3
[M+NH4]+ 323.06309 183.9
[M+K]+ 343.99243 170.6
[M+H-H2O]+ 288.02653 161.4
[M+HCOO]- 350.02747 178.1
[M+CH3COO]- 364.04312 177.7
[M+Na-2H]- 326.00394 165.0
[M]+ 305.02872 168.4
[M]- 305.02982 168.4
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.