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 185.1
[M+Na]+ 405.00866 198.3
[M-H]- 381.01216 193.3
[M+NH4]+ 400.05326 198.1
[M+K]+ 420.98260 190.7
[M+H-H2O]+ 365.01670 179.1
[M+HCOO]- 427.01764 198.6
[M+CH3COO]- 441.03329 196.2
[M+Na-2H]- 402.99411 184.6
[M]+ 382.01889 191.1
[M]- 382.01999 191.1
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.