CID 135591293

Sr-01000025667

Structural Information

Molecular Formula
C14H11N3O3S
SMILES
C/C(=N\N=C\1/NC(=O)CS1)/C2=CC3=CC=CC=C3OC2=O
InChI
InChI=1S/C14H11N3O3S/c1-8(16-17-14-15-12(18)7-21-14)10-6-9-4-2-3-5-11(9)20-13(10)19/h2-6H,7H2,1H3,(H,15,17,18)/b16-8+
InChIKey
WYELPLUTRBPHLT-LZYBPNLTSA-N
Compound name
(2E)-2-[(E)-1-(2-oxochromen-3-yl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05212 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05940 165.7
[M+Na]+ 324.04134 174.2
[M-H]- 300.04484 174.3
[M+NH4]+ 319.08594 181.5
[M+K]+ 340.01528 170.8
[M+H-H2O]+ 284.04938 158.2
[M+HCOO]- 346.05032 184.5
[M+CH3COO]- 360.06597 205.4
[M+Na-2H]- 322.02679 168.9
[M]+ 301.05157 167.4
[M]- 301.05267 167.4
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.