CID 1274225

68711-04-6

Structural Information

Molecular Formula
C17H10N4O3S2
SMILES
C1=CC2=C(C(=O)N=C2C=C1)C3=C(N(C(=S)S3)NC(=O)C4=CC=NC=C4)O
InChI
InChI=1S/C17H10N4O3S2/c22-14(9-5-7-18-8-6-9)20-21-16(24)13(26-17(21)25)12-10-3-1-2-4-11(10)19-15(12)23/h1-8,24H,(H,20,22)
InChIKey
YMDXWUJPQYYSIS-UHFFFAOYSA-N
Compound name
N-[4-hydroxy-5-(2-oxoindol-3-yl)-2-sulfanylidene-1,3-thiazol-3-yl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.01944 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.02672 183.7
[M+Na]+ 405.00866 197.3
[M+NH4]+ 400.05326 190.3
[M+K]+ 420.98260 190.9
[M-H]- 381.01216 187.8
[M+Na-2H]- 402.99411 190.5
[M]+ 382.01889 187.6
[M]- 382.01999 187.6
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.